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

Systemtic Name: (2S)-2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methyl-butanoic acid Openeye Name: (2S)-2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-methyl-butanoic acid CAS Name: (2S)-2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methylbutanoic acid IUPAC Name: (2S)-2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methylbutanoic acid Traditional Name: (2S)-2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-methyl-butyric acid Formula: C13H16N2O4S2 MolecularWeight: 328.40714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S2/c1-8(2)10(12(17)18)14-6-15(13(20)21-7-14)11(16)9-4-3-5-19-9/h3-5,8,10H,6-7H2,1-2H3,(H,17,18)/t10-/m0/s1