[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c1-11-2-7-15(14(18)8-11)19-16(21)9-25-17(22)10-26-13-5-3-12(4-6-13)20(23)24/h2-8H,9-10H2,1H3,(H,19,21)