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

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-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 [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(piazthiol-4-ylsulfonylamino)butyric acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C20H21N3O6S3 MolecularWeight: 495.59224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6S3/c1-28-20(25)18(13-7-4-3-5-8-13)29-19(24)15(11-12-30-2)23-32(26,27)16-10-6-9-14-17(16)22-31-21-14/h3-10,15,18,23H,11-12H2,1-2H3/t15-,18+/m0/s1