[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 2-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 2-[(4-chloro-3-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-chloro-3-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C27H26ClN3O6S MolecularWeight: 556.02984

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H26ClN3O6S/c1-38-15-14-22(29-26(33)20-12-13-21(28)23(16-20)31(35)36)27(34)37-17-24(32)30-25(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,22,25H,14-15,17H2,1H3,(H,29,33)(H,30,32)