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

Systemtic Name: ethyl 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(6-tert-butyl-3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[[6-tert-butyl-3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid ethyl ester Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

InChI

InChI=1S/C22H26N2O2S2/c1-5-26-19(25)13-28-21-16(12-23)20(18-7-6-10-27-18)15-11-14(22(2,3)4)8-9-17(15)24-21/h6-7,10,14H,5,8-9,11,13H2,1-4H3