(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-4-methylsulfanyl-2-(phenylsulfonylamino)butanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(benzenesulfonamido)-4-(methylthio)butyric acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H19N3O5S3 MolecularWeight: 453.55556

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=CS2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S3/c1-27-9-7-14(21-29(24,25)12-5-3-2-4-6-12)18(23)26-11-15-19-13-8-10-28-16(13)17(22)20-15/h2-6,8,10,14,21H,7,9,11H2,1H3,(H,19,20,22)/t14-/m0/s1