ethyl 6-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]pyridine-3-carboxylate CAS Name: 6-[3-(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)prop-1-ynyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)prop-1-ynyl]pyridine-3-carboxylate Traditional Name: 6-[3-(4,4-dimethylthiochroman-8-yl)prop-1-ynyl]nicotinic acid ethyl ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C#CCC2=CC=CC3=C2SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C#CCC2=CC=CC3=C2SCCC3(C)C

InChI

InChI=1S/C22H23NO2S/c1-4-25-21(24)17-11-12-18(23-15-17)9-5-7-16-8-6-10-19-20(16)26-14-13-22(19,2)3/h6,8,10-12,15H,4,7,13-14H2,1-3H3