[1-(3,4-dimethoxyphenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] thiophene-2-carboxylate

Systemtic Name: [1-(3,4-dimethoxyphenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] thiophene-2-carboxylate Openeye Name: [2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxo-ethyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-(3,4-dimethoxyphenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(benzylamino)-1-(3,4-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=CS3)OC

InChI

InChI=1S/C22H21NO5S/c1-26-17-11-10-16(13-18(17)27-2)20(28-22(25)19-9-6-12-29-19)21(24)23-14-15-7-4-3-5-8-15/h3-13,20H,14H2,1-2H3,(H,23,24)