[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C26H24N2O6S MolecularWeight: 492.54356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H24N2O6S/c1-18-8-12-22(13-9-18)35-23-14-10-20(11-15-23)27-25(30)6-3-7-26(31)34-17-24(29)19-4-2-5-21(16-19)28(32)33/h2,4-5,8-16H,3,6-7,17H2,1H3,(H,27,30)