ethyl 6-(2,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(2,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)pyridine-3-carboxylate Openeye Name: ethyl 6-(2,4-dimethylthiochroman-6-yl)pyridine-3-carboxylate CAS Name: 6-(2,4-dimethyl-3,4-dihydro-2H-1-benzothiopyran-6-yl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)pyridine-3-carboxylate Traditional Name: 6-(2,4-dimethylthiochroman-6-yl)nicotinic acid ethyl ester Formula: C19H21NO2S MolecularWeight: 327.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)SC(CC3C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)C2=CC3=C(C=C2)SC(CC3C)C

InChI

InChI=1S/C19H21NO2S/c1-4-22-19(21)15-5-7-17(20-11-15)14-6-8-18-16(10-14)12(2)9-13(3)23-18/h5-8,10-13H,4,9H2,1-3H3