2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (Q27182771)

SMR000005224 (English)

10 October 2016

chemical formula

C₂₄H₂₃N₅O₅S

1 reference

SMR000005224 (English)

10 October 2016

canonical SMILES

COCCNC(=O)C(C1=CC=CS1)N(C2=CC3=C(C=C2)OCO3)C(=O)CN4C5=CC=CC=C5N=N4

1 reference

SMR000005224 (English)

InChI=1S/C24H23N5O5S/c1-32-11-10-25-24(31)23(21-7-4-12-35-21)29(16-8-9-19-20(13-16)34-15-33-19)22(30)14-28-18-6-3-2-5-17(18)26-27-28/h2-9,12-13,23H,10-11,14-15H2,1H3,(H,25,31)

10 October 2016

Identifiers

InChI

1 reference

SMR000005224 (English)

WZXHULVBRKNQGA-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

SMR000005224 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-(1,3-Benzodioxol-5-yl)-2-(1H-benzotriazol-1-yl)-N-{2-[(2-methoxyethyl)amino]-2-oxo-1-(2-thienyl)ethyl}acetamide (English)

10 October 2016

2 references

SMR000005224 (English)

matched by identifier from

10 October 2016

InChIKey

WZXHULVBRKNQGA-UHFFFAOYSA-N

ChEBI ID

105086

mapping relation type

2 references

2-[1,3-benzodioxol-5-yl-[2-(1-benzotriazolyl)-1-oxoethyl]amino]-N-(2-methoxyethyl)-2-thiophen-2-ylacetamide (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H23N5O5S/c1-32-11-10-25-24(31)23(21-7-4-12-35-21)29(16-8-9-19-20(13-16)34-15-33-19)22(30)14-28-18-6-3-2-5-17(18)26-27-28/h2-9,12-13,23H,10-11,14-15H2,1H3,(H,25,31)

1 reference