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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)-3-thiophenecarboxylic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carboxylate Traditional Name: 2-(2,5-dimethylpyrrol-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=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)C2=C(SC=C2)N3C(=CC=C3C)C

InChI

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