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

Systemtic Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzoate Openeye Name: methyl 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzoate CAS Name: 4-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]benzoate Traditional Name: 4-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]benzoic acid methyl ester Formula: C22H22O2S MolecularWeight: 350.47388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O2S/c1-22(2)14-15-25-20-17(8-5-9-19(20)22)7-4-6-16-10-12-18(13-11-16)21(23)24-3/h5,8-13H,7,14-15H2,1-3H3