2-[5-methyl-4-(phenoxymethyl)-2-sulfanylidene-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-4-(phenoxymethyl)-2-sulfanylidene-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[5-methyl-4-(phenoxymethyl)-2-thioxo-thiazol-5-yl]acetic acid CAS Name: 2-[5-methyl-4-(phenoxymethyl)-2-sulfanylidene-5-thiazolyl]acetic acid IUPAC Name: 2-[5-methyl-4-(phenoxymethyl)-2-sulfanylidene-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[5-methyl-4-(phenoxymethyl)-2-thioxo-3-thiazolin-5-yl]acetic acid Formula: C13H13NO3S2 MolecularWeight: 295.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NC(=S)S1)COC2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CC1(C(=NC(=S)S1)COC2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C13H13NO3S2/c1-13(7-11(15)16)10(14-12(18)19-13)8-17-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,15,16)