2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl pyridine-3-carboxylate

Systemtic Name: 2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl pyridine-3-carboxylate Openeye Name: 2-(4,4,7-trimethylthiochroman-6-yl)ethynyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid 2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl ester IUPAC Name: 2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl pyridine-3-carboxylate Traditional Name: nicotinic acid 2-(4,4,7-trimethylthiochroman-6-yl)ethynyl ester Formula: C20H19NO2S MolecularWeight: 337.43536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#COC(=O)C3=CN=CC=C3)C(CCS2)(C)C

InChI

InChI=1S/C20H19NO2S/c1-14-11-18-17(20(2,3)7-10-24-18)12-15(14)6-9-23-19(22)16-5-4-8-21-13-16/h4-5,8,11-13H,7,10H2,1-3H3