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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC3=CC=CC=C3S2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC3=CC=CC=C3S2)OC)OC

InChI

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