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

Systemtic Name: 2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-2-methyl-propanoic acid Openeye Name: 2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-2-methyl-propanoic acid CAS Name: 2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-2-methylpropanoic acid IUPAC Name: 2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-2-methylpropanoic acid Traditional Name: 2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-2-methyl-propionic acid Formula: C12H14N2O4S2 MolecularWeight: 314.38056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S2/c1-12(2,10(16)17)13-6-14(11(19)20-7-13)9(15)8-4-3-5-18-8/h3-5H,6-7H2,1-2H3,(H,16,17)