(2S)-2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-4-(methylthio)butyric acid Formula: C13H16N2O4S3 MolecularWeight: 360.47214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1CN(C(=S)SC1)C(=O)C2=CC=CO2

Isomeric SMILES

CSCC[C@@H](C(=O)O)N1CN(C(=S)SC1)C(=O)C2=CC=CO2

InChI

InChI=1S/C13H16N2O4S3/c1-21-6-4-9(12(17)18)14-7-15(13(20)22-8-14)11(16)10-3-2-5-19-10/h2-3,5,9H,4,6-8H2,1H3,(H,17,18)/t9-/m0/s1