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

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H19N3O5S2/c1-13-11-30-21(22-13)31-12-15-6-8-16(9-7-15)20(26)29-10-19(25)23-17-4-3-5-18(14(17)2)24(27)28/h3-9,11H,10,12H2,1-2H3,(H,23,25)