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

Systemtic Name: 4-(2,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)pyridine-3-carboxylic acid Openeye Name: 4-(2,4-dimethylthiochroman-6-yl)pyridine-3-carboxylic acid CAS Name: 4-(2,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid IUPAC Name: 4-(2,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)pyridine-3-carboxylic acid Traditional Name: 4-(2,4-dimethylthiochroman-6-yl)nicotinic acid Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(SC2=C1C=C(C=C2)C3=C(C=NC=C3)C(=O)O)C

Isomeric SMILES

CC1CC(SC2=C1C=C(C=C2)C3=C(C=NC=C3)C(=O)O)C

InChI

InChI=1S/C17H17NO2S/c1-10-7-11(2)21-16-4-3-12(8-14(10)16)13-5-6-18-9-15(13)17(19)20/h3-6,8-11H,7H2,1-2H3,(H,19,20)