[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1-benzothiophene-2-carboxylate Openeye Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] benzothiophene-2-carboxylate CAS Name: 1-benzothiophene-2-carboxylic acid [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 1-benzothiophene-2-carboxylate Traditional Name: benzothiophene-2-carboxylic acid [2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)COC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO6S/c1-25-15-8-13(9-16(26-2)20(15)27-3)11-22-19(23)12-28-21(24)18-10-14-6-4-5-7-17(14)29-18/h4-10H,11-12H2,1-3H3,(H,22,23)