methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-oxidanyl-prop-1-ynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[3-(4,4-dimethylthiochroman-7-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-7-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-7-yl)-3-hydroxyprop-1-ynyl]-2-hydroxybenzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-7-yl)-3-hydroxy-prop-1-ynyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H22O4S MolecularWeight: 382.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC(=C2)C(C#CC3=CC(=C(C=C3)C(=O)OC)O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC(=C2)C(C#CC3=CC(=C(C=C3)C(=O)OC)O)O)C

InChI

InChI=1S/C22H22O4S/c1-22(2)10-11-27-20-13-15(6-8-17(20)22)18(23)9-5-14-4-7-16(19(24)12-14)21(25)26-3/h4,6-8,12-13,18,23-24H,10-11H2,1-3H3