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

Systemtic Name: (1-oxidanylidene-1-phenyl-pentan-2-yl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: 1-benzoylbutyl 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid (1-oxo-1-phenylpentan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpentan-2-yl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid 1-benzoylbutyl ester Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29NO4S/c1-2-10-25(28(32)21-11-5-3-6-12-21)33-27(31)16-9-15-26(30)29-22-17-19-24(20-18-22)34-23-13-7-4-8-14-23/h3-8,11-14,17-20,25H,2,9-10,15-16H2,1H3,(H,29,30)