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

Systemtic Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-2-oxidanyl-benzoate Openeye Name: prop-1-ynyl 3-(4,4-dimethylthiochroman-8-yl)-2-hydroxy-benzoate CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)-2-hydroxybenzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)-2-hydroxybenzoate Traditional Name: 3-(4,4-dimethylthiochroman-8-yl)-2-hydroxy-benzoic acid prop-1-ynyl ester Formula: C21H20O3S MolecularWeight: 352.4467

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Descriptors Computed from Structure

Canonical SMILES:

CC#COC(=O)C1=CC=CC(=C1O)C2=C3C(=CC=C2)C(CCS3)(C)C

Isomeric SMILES

CC#COC(=O)C1=CC=CC(=C1O)C2=C3C(=CC=C2)C(CCS3)(C)C

InChI

InChI=1S/C21H20O3S/c1-4-12-24-20(23)16-9-5-7-14(18(16)22)15-8-6-10-17-19(15)25-13-11-21(17,2)3/h5-10,22H,11,13H2,1-3H3