3-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-methylthiochroman-6-yl)-3-oxo-propanoic acid CAS Name: 3-(2-methyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-oxopropanoic acid IUPAC Name: 3-(2-methyl-3,4-dihydro-2H-thiochromen-6-yl)-3-oxopropanoic acid Traditional Name: 3-keto-3-(2-methylthiochroman-6-yl)propionic acid Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(S1)C=CC(=C2)C(=O)CC(=O)O

Isomeric SMILES

CC1CCC2=C(S1)C=CC(=C2)C(=O)CC(=O)O

InChI

InChI=1S/C13H14O3S/c1-8-2-3-10-6-9(4-5-12(10)17-8)11(14)7-13(15)16/h4-6,8H,2-3,7H2,1H3,(H,15,16)