methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxidanylidene-ethoxy]-2-oxidanyl-benzoate Openeye Name: methyl 4-[2-(4,4-dimethylthiochroman-6-yl)-2-oxo-ethoxy]-2-hydroxy-benzoate CAS Name: 4-[2-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-6-yl)-2-oxoethoxy]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-2-oxoethoxy]-2-hydroxybenzoate Traditional Name: 4-[2-(4,4-dimethylthiochroman-6-yl)-2-keto-ethoxy]-2-hydroxy-benzoic acid methyl ester Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC(=C(C=C3)C(=O)OC)O)C

Isomeric SMILES

CC1(CCSC2=C1C=C(C=C2)C(=O)COC3=CC(=C(C=C3)C(=O)OC)O)C

InChI

InChI=1S/C21H22O5S/c1-21(2)8-9-27-19-7-4-13(10-16(19)21)18(23)12-26-14-5-6-15(17(22)11-14)20(24)25-3/h4-7,10-11,22H,8-9,12H2,1-3H3