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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2,4-dimethylthiazole-5-carboxylate CAS Name: 2,4-dimethyl-5-thiazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2,4-dimethylthiazole-5-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5S/c1-8-4-5-11(6-12(8)17(20)21)13(18)7-22-15(19)14-9(2)16-10(3)23-14/h4-6H,7H2,1-3H3