methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(homoveratroylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)OC

InChI

InChI=1S/C20H23NO5S/c1-24-14-9-8-12(10-15(14)25-2)11-17(22)21-19-18(20(23)26-3)13-6-4-5-7-16(13)27-19/h8-10H,4-7,11H2,1-3H3,(H,21,22)