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

Systemtic Name: methyl 2-[[(6S)-6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[(6S)-6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[(6S)-6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[(6S)-6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[(6S)-6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid methyl ester Formula: C21H24N2O2S2 MolecularWeight: 400.55746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC)C#N)C3=CC=CS3

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)C(=C(C(=N2)SCC(=O)OC)C#N)C3=CC=CS3

InChI

InChI=1S/C21H24N2O2S2/c1-21(2,3)13-7-8-16-14(10-13)19(17-6-5-9-26-17)15(11-22)20(23-16)27-12-18(24)25-4/h5-6,9,13H,7-8,10,12H2,1-4H3/t13-/m0/s1