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

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-[(4-phenylsulfanylphenyl)amino]butanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate CAS Name: 4-oxo-4-[4-(phenylthio)anilino]butanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 4-oxo-4-(4-phenylsulfanylanilino)butanoate Traditional Name: 4-keto-4-[4-(phenylthio)anilino]butyric acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO4S/c1-18-8-9-20(16-19(18)2)24(28)17-31-26(30)15-14-25(29)27-21-10-12-23(13-11-21)32-22-6-4-3-5-7-22/h3-13,16H,14-15,17H2,1-2H3,(H,27,29)