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

Systemtic Name: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenyl-acetate CAS Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenylacetic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-2-phenylacetate Traditional Name: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-2-phenyl-acetic acid methyl ester Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(CCCC3)C=C2C#N

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)SC2=NC3=C(CCCC3)C=C2C#N

InChI

InChI=1S/C19H18N2O2S/c1-23-19(22)17(13-7-3-2-4-8-13)24-18-15(12-20)11-14-9-5-6-10-16(14)21-18/h2-4,7-8,11,17H,5-6,9-10H2,1H3