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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-19(26(30)20-9-4-2-5-10-20)31-25(29)14-8-13-24(28)27-21-15-17-23(18-16-21)32-22-11-6-3-7-12-22/h2-7,9-12,15-19H,8,13-14H2,1H3,(H,27,28)