2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid

Systemtic Name: 2-(6-methyl-4-oxidanylidene-2,3-dihydrothiochromen-2-yl)ethanoic acid Openeye Name: 2-(6-methyl-4-oxo-thiochroman-2-yl)acetic acid CAS Name: 2-(6-methyl-4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)acetic acid IUPAC Name: 2-(6-methyl-4-oxo-2,3-dihydrothiochromen-2-yl)acetic acid Traditional Name: 2-(4-keto-6-methyl-thiochroman-2-yl)acetic acid Formula: C12H12O3S MolecularWeight: 236.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(CC2=O)CC(=O)O

InChI

InChI=1S/C12H12O3S/c1-7-2-3-11-9(4-7)10(13)5-8(16-11)6-12(14)15/h2-4,8H,5-6H2,1H3,(H,14,15)