[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-(methylthio)butanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C20H21N3O5S3 MolecularWeight: 479.59284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C20H21N3O5S3/c1-13-6-8-14(9-7-13)17(24)12-28-20(25)16(10-11-29-2)23-31(26,27)18-5-3-4-15-19(18)22-30-21-15/h3-9,16,23H,10-12H2,1-2H3/t16-/m0/s1