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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-oxidanylidene-5-[(4-phenylsulfanylphenyl)amino]pentanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate CAS Name: 5-oxo-5-[4-(phenylthio)anilino]pentanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 5-oxo-5-(4-phenylsulfanylanilino)pentanoate Traditional Name: 5-keto-5-[4-(phenylthio)anilino]valeric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=C(C=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C27H27NO4S/c1-19-11-12-21(17-20(19)2)25(29)18-32-27(31)10-6-9-26(30)28-22-13-15-24(16-14-22)33-23-7-4-3-5-8-23/h3-5,7-8,11-17H,6,9-10,18H2,1-2H3,(H,28,30)