(1-oxidanylidene-1-phenyl-butan-2-yl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: 1-benzoylpropyl 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid 1-benzoylpropyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4S/c1-2-24(27(31)20-10-5-3-6-11-20)32-26(30)15-9-14-25(29)28-21-16-18-23(19-17-21)33-22-12-7-4-8-13-22/h3-8,10-13,16-19,24H,2,9,14-15H2,1H3,(H,28,29)