[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H23NO4S2 MolecularWeight: 417.54162

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)SC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)C1=CC=C(C=C1)SC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H23NO4S2/c1-27-13-12-18(22-20(24)16-6-4-3-5-7-16)21(25)26-14-19(23)15-8-10-17(28-2)11-9-15/h3-11,18H,12-14H2,1-2H3,(H,22,24)