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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC(C2=O)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SCC(C2=O)CC(=O)O

InChI

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