(1-oxidanylidene-1-phenyl-pentan-2-yl) 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: 1-benzoylbutyl 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid 1-benzoylbutyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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