[2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate

Systemtic Name: [2-[(4-methyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)propanoate Openeye Name: [2-(4-methyl-2-nitro-anilino)-2-oxo-ethyl] 3-(4-methyl-2-oxo-thiazol-3-yl)propanoate CAS Name: 3-(4-methyl-2-oxo-3-thiazolyl)propanoic acid [2-(4-methyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-2-nitroanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate Traditional Name: 3-(2-keto-4-methyl-4-thiazolin-3-yl)propionic acid [2-keto-2-(4-methyl-2-nitro-anilino)ethyl] ester Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C(=CSC2=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)COC(=O)CCN2C(=CSC2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-10-3-4-12(13(7-10)19(23)24)17-14(20)8-25-15(21)5-6-18-11(2)9-26-16(18)22/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)