phenacyl 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: phenacyl 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: phenacyl 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid phenacyl ester IUPAC Name: phenacyl 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid phenacyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=CC=C3

InChI

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