ethyl 3-(4-benzamidobutanoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-(4-benzamidobutanoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-(4-benzamidobutanoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[(4-benzamido-1-oxobutyl)amino]-5-(3,4-dimethoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzamidobutanoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-(4-benzamidobutanoylamino)-5-(3,4-dimethoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C26H28N2O6S MolecularWeight: 496.57532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)CCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)CCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O6S/c1-4-34-26(31)24-19(16-22(35-24)18-12-13-20(32-2)21(15-18)33-3)28-23(29)11-8-14-27-25(30)17-9-6-5-7-10-17/h5-7,9-10,12-13,15-16H,4,8,11,14H2,1-3H3,(H,27,30)(H,28,29)