[2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO5S/c1-13-2-4-14(5-3-13)17(20)12-24-18(21)10-11-25-16-8-6-15(7-9-16)19(22)23/h2-9H,10-12H2,1H3