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

Systemtic Name: 2-[5-(furan-2-ylcarbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid Openeye Name: 2-[5-(furan-2-carbonyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]butanedioic acid CAS Name: 2-[5-[2-furanyl(oxo)methyl]-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid IUPAC Name: 2-[5-(furan-2-carbonyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid Traditional Name: 2-[5-(2-furoyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]succinic acid Formula: C12H12N2O6S2 MolecularWeight: 344.36348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O6S2/c15-9(16)4-7(11(18)19)13-5-14(12(21)22-6-13)10(17)8-2-1-3-20-8/h1-3,7H,4-6H2,(H,15,16)(H,18,19)