[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[(3,4-dimethylphenyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(3,4-dimethylanilino)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethylanilino)-4-thiazolecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethylanilino)thiazole-4-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N3O5S/c1-12-6-7-15(8-13(12)2)21-20-22-17(11-29-20)19(25)28-10-18(24)14-4-3-5-16(9-14)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,22)