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

Systemtic Name: tert-butyl 2-[[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[3-cyano-4-(p-tolyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-cyano-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(p-tolyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid tert-butyl ester Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC3=C2CCCC3)SCC(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C23H26N2O2S/c1-15-9-11-16(12-10-15)21-17-7-5-6-8-19(17)25-22(18(21)13-24)28-14-20(26)27-23(2,3)4/h9-12H,5-8,14H2,1-4H3