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

Systemtic Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)benzoate Openeye Name: prop-1-ynyl 3-(4,4-dimethylthiochroman-8-yl)benzoate CAS Name: 3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)benzoic acid prop-1-ynyl ester IUPAC Name: prop-1-ynyl 3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)benzoate Traditional Name: 3-(4,4-dimethylthiochroman-8-yl)benzoic acid prop-1-ynyl ester Formula: C21H20O2S MolecularWeight: 336.4473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O2S/c1-4-12-23-20(22)16-8-5-7-15(14-16)17-9-6-10-18-19(17)24-13-11-21(18,2)3/h5-10,14H,11,13H2,1-3H3