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

Systemtic Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid Openeye Name: 2-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]butanedioic acid CAS Name: 2-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid IUPAC Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]butanedioic acid Traditional Name: 2-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]succinic acid Formula: C12H14N2O5S2 MolecularWeight: 330.37996

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CSC(=S)N1CC2=CC=CO2)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1N(CSC(=S)N1CC2=CC=CO2)C(CC(=O)O)C(=O)O

InChI

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