methyl 5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-(homoveratroylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC3=C(C=C2)SC(=C3)C(=O)OC)OC

InChI

InChI=1S/C20H19NO5S/c1-24-15-6-4-12(8-16(15)25-2)9-19(22)21-14-5-7-17-13(10-14)11-18(27-17)20(23)26-3/h4-8,10-11H,9H2,1-3H3,(H,21,22)