4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-3-phenyl-2-thioxo-thiazole-5-carboxylic acid CAS Name: 4-methyl-3-phenyl-2-sulfanylidene-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-3-phenyl-2-thioxo-4-thiazoline-5-carboxylic acid Formula: C11H9NO2S2 MolecularWeight: 251.32466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(SC(=S)N1C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H9NO2S2/c1-7-9(10(13)14)16-11(15)12(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14)