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

Systemtic Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methyl-butanoic acid Openeye Name: 2-[5-(2-furylmethyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-methyl-butanoic acid CAS Name: 2-[5-(2-furanylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methylbutanoic acid IUPAC Name: 2-[5-(furan-2-ylmethyl)-6-sulfanylidene-1,3,5-thiadiazinan-3-yl]-3-methylbutanoic acid Traditional Name: 2-[5-(2-furfuryl)-6-thioxo-1,3,5-thiadiazinan-3-yl]-3-methyl-butyric acid Formula: C13H18N2O3S2 MolecularWeight: 314.42362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1CN(C(=S)SC1)CC2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)O)N1CN(C(=S)SC1)CC2=CC=CO2

InChI

InChI=1S/C13H18N2O3S2/c1-9(2)11(12(16)17)15-7-14(13(19)20-8-15)6-10-4-3-5-18-10/h3-5,9,11H,6-8H2,1-2H3,(H,16,17)