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

Systemtic Name: tert-butyl 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: tert-butyl 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)OC(C)(C)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)OC(C)(C)C)C#N

InChI

InChI=1S/C17H22N2O2S/c1-11-5-6-14-12(7-11)8-13(9-18)16(19-14)22-10-15(20)21-17(2,3)4/h8,11H,5-7,10H2,1-4H3