phenacyl 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: phenacyl 4-[[4-(4-methylphenyl)sulfanylphenyl]amino]-4-oxidanylidene-butanoate Openeye Name: phenacyl 4-oxo-4-[4-(p-tolylsulfanyl)anilino]butanoate CAS Name: 4-[4-[(4-methylphenyl)thio]anilino]-4-oxobutanoic acid phenacyl ester IUPAC Name: phenacyl 4-[4-(4-methylphenyl)sulfanylanilino]-4-oxobutanoate Traditional Name: 4-keto-4-[4-(p-tolylthio)anilino]butyric acid phenacyl ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-18-7-11-21(12-8-18)31-22-13-9-20(10-14-22)26-24(28)15-16-25(29)30-17-23(27)19-5-3-2-4-6-19/h2-14H,15-17H2,1H3,(H,26,28)