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

Systemtic Name: [2-(3-methoxyphenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(3-methoxyphenyl)-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [2-(3-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyphenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-keto-2-(3-methoxyphenyl)ethyl] ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C26H25NO5S/c1-31-21-8-5-7-19(17-21)24(28)18-32-26(30)12-6-11-25(29)27-20-13-15-23(16-14-20)33-22-9-3-2-4-10-22/h2-5,7-10,13-17H,6,11-12,18H2,1H3,(H,27,29)