methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]-2-hydroxy-benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]-2-hydroxybenzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]-2-hydroxy-benzoic acid methyl ester Formula: C22H22O3S MolecularWeight: 366.47328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2CC#CC3=CC(=C(C=C3)C(=O)OC)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2CC#CC3=CC(=C(C=C3)C(=O)OC)O)C

InChI

InChI=1S/C22H22O3S/c1-22(2)12-13-26-20-16(8-5-9-18(20)22)7-4-6-15-10-11-17(19(23)14-15)21(24)25-3/h5,8-11,14,23H,7,12-13H2,1-3H3