[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-(1-pyrrolyl)-3-thiophenecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(SC(=C2C)C)N3C=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-14-8-4-5-9-17(14)12-22-18(24)13-26-21(25)19-15(2)16(3)27-20(19)23-10-6-7-11-23/h4-11H,12-13H2,1-3H3,(H,22,24)