[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C26H29ClN2O6S MolecularWeight: 533.03626

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)C2CCCCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)C2CCCCC2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H29ClN2O6S/c1-36-14-13-23(28-25(31)21-12-11-20(29(33)34)15-22(21)27)26(32)35-16-24(30)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h7-12,15,17,23H,2-6,13-14,16H2,1H3,(H,28,31)