ethyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]methyl]benzoic acid ethyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CSC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CSC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C20H20N2O2S/c1-2-24-20(23)17-9-5-3-8-15(17)13-25-19-16(12-21)11-14-7-4-6-10-18(14)22-19/h3,5,8-9,11H,2,4,6-7,10,13H2,1H3