[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 5-[[4-(4-methylphenyl)sulfanylphenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 5-oxo-5-[4-(p-tolylsulfanyl)anilino]pentanoate CAS Name: 5-[4-[(4-methylphenyl)thio]anilino]-5-oxopentanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 5-[4-(4-methylphenyl)sulfanylanilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-(p-tolylthio)anilino]valeric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C27H27NO5S MolecularWeight: 477.57198

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO5S/c1-19-9-13-23(14-10-19)34-24-15-11-21(12-16-24)28-26(30)7-4-8-27(31)33-18-25(29)20-5-3-6-22(17-20)32-2/h3,5-6,9-17H,4,7-8,18H2,1-2H3,(H,28,30)