2-[2,6-dimethyl-4-(4-oxidanylidene-2,3-dihydrothiochromen-2-yl)phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[2,6-dimethyl-4-(4-oxidanylidene-2,3-dihydrothiochromen-2-yl)phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[2,6-dimethyl-4-(4-oxothiochroman-2-yl)phenoxy]-2-methyl-propanoic acid CAS Name: 2-[2,6-dimethyl-4-(4-oxo-2,3-dihydro-1-benzothiopyran-2-yl)phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[2,6-dimethyl-4-(4-oxo-2,3-dihydrothiochromen-2-yl)phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-(4-ketothiochroman-2-yl)-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)C2CC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)C2CC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H22O4S/c1-12-9-14(10-13(2)19(12)25-21(3,4)20(23)24)18-11-16(22)15-7-5-6-8-17(15)26-18/h5-10,18H,11H2,1-4H3,(H,23,24)