[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(4-methoxyphenyl)sulfonylamino]-4-(methylthio)butyric acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H25NO6S3 MolecularWeight: 483.6213

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N[C@H](CCSC)C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H25NO6S3/c1-27-16-6-10-18(11-7-16)31(25,26)22-19(12-13-29-2)21(24)28-14-20(23)15-4-8-17(30-3)9-5-15/h4-11,19,22H,12-14H2,1-3H3/t19-/m1/s1