ethyl 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-sulfanylidene-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-sulfanylidene-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-thioxo-pyridine-3-carboxylate CAS Name: 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-sulfanylidene-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-sulfanylidenepyridine-3-carboxylate Traditional Name: 5-cyano-1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-6-thioxo-nicotinic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC3=CC=CC=C3C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)C(=C1)C#N)CN2CCC3=CC=CC=C3C2)C

InChI

InChI=1S/C20H21N3O2S/c1-3-25-20(24)18-10-17(11-21)19(26)23(14(18)2)13-22-9-8-15-6-4-5-7-16(15)12-22/h4-7,10H,3,8-9,12-13H2,1-2H3