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

Systemtic Name: 3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid Openeye Name: 3-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]propanoic acid CAS Name: 3-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid IUPAC Name: 3-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]propanoic acid Traditional Name: 3-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]propionic acid Formula: C11H14N2O3S2 MolecularWeight: 286.37046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O3S2/c14-10(15)3-4-12-7-13(11(17)18-8-12)6-9-2-1-5-16-9/h1-2,5H,3-4,6-8H2,(H,14,15)