4-(3,4-dihydro-2H-thiochromen-6-yl)-2-ethynyl-5,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 4-(3,4-dihydro-2H-thiochromen-6-yl)-2-ethynyl-5,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 2-ethynyl-5,6-dimethyl-4-thiochroman-6-yl-pyridine-3-carboxylic acid CAS Name: 4-(3,4-dihydro-2H-1-benzothiopyran-6-yl)-2-ethynyl-5,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 4-(3,4-dihydro-2H-thiochromen-6-yl)-2-ethynyl-5,6-dimethylpyridine-3-carboxylic acid Traditional Name: 2-ethynyl-5,6-dimethyl-4-thiochroman-6-yl-nicotinic acid Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N=C1C)C#C)C(=O)O)C2=CC3=C(C=C2)SCCC3

Isomeric SMILES

CC1=C(C(=C(N=C1C)C#C)C(=O)O)C2=CC3=C(C=C2)SCCC3

InChI

InChI=1S/C19H17NO2S/c1-4-15-18(19(21)22)17(11(2)12(3)20-15)14-7-8-16-13(10-14)6-5-9-23-16/h1,7-8,10H,5-6,9H2,2-3H3,(H,21,22)