[1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(2,4,6-trimethylphenyl)amino]propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [1-methyl-2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (2-keto-2-mesidino-1-methyl-ethyl) ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CS2)N3C=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC(=O)C2=C(C=CS2)N3C=CC=C3)C

InChI

InChI=1S/C21H22N2O3S/c1-13-11-14(2)18(15(3)12-13)22-20(24)16(4)26-21(25)19-17(7-10-27-19)23-8-5-6-9-23/h5-12,16H,1-4H3,(H,22,24)