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

Systemtic Name: (phenylmethyl) 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid benzyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H20N2O2S/c1-14-7-8-18-16(9-14)10-17(11-21)20(22-18)25-13-19(23)24-12-15-5-3-2-4-6-15/h2-6,10,14H,7-9,12-13H2,1H3