6-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]pyridine-3-carboxylic acid Openeye Name: 6-(4,4-dimethylthiochroman-8-yl)selanylpyridine-3-carboxylic acid CAS Name: 6-[(4,4-dimethyl-2,3-dihydro-1-benzothiopyran-8-yl)seleno]-3-pyridinecarboxylic acid IUPAC Name: 6-[(4,4-dimethyl-2,3-dihydrothiochromen-8-yl)selanyl]pyridine-3-carboxylic acid Traditional Name: 6-[(4,4-dimethylthiochroman-8-yl)seleno]nicotinic acid Formula: C17H17NO2SSe MolecularWeight: 378.34738

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCSC2=C1C=CC=C2[Se]C3=NC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCSC2=C1C=CC=C2[Se]C3=NC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C17H17NO2SSe/c1-17(2)8-9-21-15-12(17)4-3-5-13(15)22-14-7-6-11(10-18-14)16(19)20/h3-7,10H,8-9H2,1-2H3,(H,19,20)