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

Systemtic Name: 2-[5-(furan-2-yl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid Openeye Name: 2-[5-(2-furyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]pentanedioic acid CAS Name: 2-[5-(2-furanyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid IUPAC Name: 2-[5-(furan-2-yl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]pentanedioic acid Traditional Name: 2-[5-(2-furyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]glutaric acid Formula: C12H14N2O5S2 MolecularWeight: 330.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1C2=CC=CO2)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1C2=CC=CO2)C(CCC(=O)O)C(=O)O

InChI

InChI=1S/C12H14N2O5S2/c15-10(16)4-3-8(11(17)18)13-6-14(12(20)21-7-13)9-2-1-5-19-9/h1-2,5,8H,3-4,6-7H2,(H,15,16)(H,17,18)