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

Systemtic Name: methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-4-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(3-cyano-4-pyridin-4-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(4-pyridyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=NC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-16(22)11-24-18-14(10-19)17(12-6-8-20-9-7-12)13-4-2-3-5-15(13)21-18/h6-9H,2-5,11H2,1H3