[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenyl-1,3-thiazole-4-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 2-phenylthiazole-4-carboxylate CAS Name: 2-phenyl-4-thiazolecarboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate Traditional Name: 2-phenylthiazole-4-carboxylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CC=C3

InChI

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