(phenylmethyl) 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-4-ethyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid benzyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=C1CCCC2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCC1=C(C(=NC2=C1CCCC2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H22N2O2S/c1-2-16-17-10-6-7-11-19(17)23-21(18(16)12-22)26-14-20(24)25-13-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-11,13-14H2,1H3