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

Systemtic Name: 2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid Openeye Name: 2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]pentanedioic acid CAS Name: 2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid IUPAC Name: 2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid Traditional Name: 2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]glutaric acid Formula: C13H14N2O6S2 MolecularWeight: 358.39006

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1C(=O)C2=CC=CO2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1C(=O)C2=CC=CO2)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14N2O6S2/c16-10(17)4-3-8(12(19)20)14-6-15(13(22)23-7-14)11(18)9-2-1-5-21-9/h1-2,5,8H,3-4,6-7H2,(H,16,17)(H,19,20)