[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C3=CC=CC=C3S2)Cl)OC

InChI

InChI=1S/C19H16ClNO5S/c1-24-13-8-7-11(9-14(13)25-2)21-16(22)10-26-19(23)18-17(20)12-5-3-4-6-15(12)27-18/h3-9H,10H2,1-2H3,(H,21,22)