[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl] 2-methyl-4-phenyl-thiazole-5-carboxylate CAS Name: 2-methyl-4-phenyl-5-thiazolecarboxylic acid [2-(2-methyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-nitroanilino)-2-oxoethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-methyl-4-phenyl-thiazole-5-carboxylic acid [2-keto-2-(2-methyl-6-nitro-anilino)ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(N=C(S2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=C(N=C(S2)C)C3=CC=CC=C3

InChI

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