2-methyl-4-oxidanylidene-2,3-dihydrothiochromene-8-carboxylic acid

Systemtic Name: 2-methyl-4-oxidanylidene-2,3-dihydrothiochromene-8-carboxylic acid Openeye Name: 2-methyl-4-oxo-thiochromane-8-carboxylic acid CAS Name: 2-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-8-carboxylic acid IUPAC Name: 2-methyl-4-oxo-2,3-dihydrothiochromene-8-carboxylic acid Traditional Name: 4-keto-2-methyl-thiochroman-8-carboxylic acid Formula: C11H10O3S MolecularWeight: 222.2603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(S1)C(=CC=C2)C(=O)O

Isomeric SMILES

CC1CC(=O)C2=C(S1)C(=CC=C2)C(=O)O

InChI

InChI=1S/C11H10O3S/c1-6-5-9(12)7-3-2-4-8(11(13)14)10(7)15-6/h2-4,6H,5H2,1H3,(H,13,14)