3-(3,3-dimethyl-2,4-dihydrothiochromen-6-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(3,3-dimethyl-2,4-dihydrothiochromen-6-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(3,3-dimethylthiochroman-6-yl)-3-oxo-propanoic acid CAS Name: 3-(3,3-dimethyl-2,4-dihydro-1-benzothiopyran-6-yl)-3-oxopropanoic acid IUPAC Name: 3-(3,3-dimethyl-2,4-dihydrothiochromen-6-yl)-3-oxopropanoic acid Traditional Name: 3-(3,3-dimethylthiochroman-6-yl)-3-keto-propionic acid Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)C(=O)CC(=O)O)SC1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)C(=O)CC(=O)O)SC1)C

InChI

InChI=1S/C14H16O3S/c1-14(2)7-10-5-9(11(15)6-13(16)17)3-4-12(10)18-8-14/h3-5H,6-8H2,1-2H3,(H,16,17)