[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)OCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H21NO5S/c1-14-4-6-15(7-5-14)17-10-11-29-21(17)22(25)28-13-20(24)23-16-8-9-18(26-2)19(12-16)27-3/h4-12H,13H2,1-3H3,(H,23,24)