6-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]pyridine-3-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)O)C(CCS2)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1C#CC3=NC=C(C=C3)C(=O)O)C(CCS2)(C)C

InChI

InChI=1S/C20H19NO2S/c1-13-10-18-17(20(2,3)8-9-24-18)11-14(13)4-6-16-7-5-15(12-21-16)19(22)23/h5,7,10-12H,8-9H2,1-3H3,(H,22,23)