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

Systemtic Name: methyl 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[3-cyano-6-(1,1-dimethylpropyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[3-cyano-6-(2-methylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[(6-tert-amyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid methyl ester Formula: C18H24N2O2S MolecularWeight: 332.46036

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)OC)C#N

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)C=C(C(=N2)SCC(=O)OC)C#N

InChI

InChI=1S/C18H24N2O2S/c1-5-18(2,3)14-6-7-15-12(9-14)8-13(10-19)17(20-15)23-11-16(21)22-4/h8,14H,5-7,9,11H2,1-4H3