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

Systemtic Name: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetate IUPAC Name: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetate Formula: C19H17N2O3S- MolecularWeight: 353.41488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)[O-])C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)[O-])C#N

InChI

InChI=1S/C19H18N2O3S/c1-24-13-8-6-12(7-9-13)18-14-4-2-3-5-16(14)21-19(15(18)10-20)25-11-17(22)23/h6-9H,2-5,11H2,1H3,(H,22,23)/p-1