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

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-1-phenyl-ethyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic acid [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [2-keto-2-(4-methyl-2-nitro-anilino)-1-phenyl-ethyl] ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=C(S3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(N=C(S3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O5S/c1-12-9-10-16(17(11-12)24(27)28)23-20(25)18(15-7-5-4-6-8-15)29-21(26)19-13(2)22-14(3)30-19/h4-11,18H,1-3H3,(H,23,25)