[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-12-6-8-13(9-7-12)18-16(20)10-24-17(21)11-25-15-5-3-2-4-14(15)19(22)23/h2-9H,10-11H2,1H3,(H,18,20)