[2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,5-dimethoxyanilino)-2-oxo-ethyl] 6-methyl-2,3-dihydrobenzothiophene-2-carboxylate CAS Name: 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylic acid [2-(3,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethoxyanilino)-2-oxoethyl] 6-methyl-2,3-dihydro-1-benzothiophene-2-carboxylate Traditional Name: 6-methyl-2,3-dihydrobenzothiophene-2-carboxylic acid [2-(3,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)OCC(=O)NC3=CC(=CC(=C3)OC)OC)C=C1

InChI

InChI=1S/C20H21NO5S/c1-12-4-5-13-7-18(27-17(13)6-12)20(23)26-11-19(22)21-14-8-15(24-2)10-16(9-14)25-3/h4-6,8-10,18H,7,11H2,1-3H3,(H,21,22)