2-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)NCC2=CC=CO2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)NCC2=CC=CO2)CC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-8-10(5-12(17)18)21-13(15-8)20-7-11(16)14-6-9-3-2-4-19-9/h2-4H,5-7H2,1H3,(H,14,16)(H,17,18)