[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)OCC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6S/c1-13-4-3-5-16(8-13)21-19(24)11-29-12-20(25)28-10-18(23)15-7-6-14(2)17(9-15)22(26)27/h3-9H,10-12H2,1-2H3,(H,21,24)