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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(CC(CC2)C(C)(C)C)C(=C1C#N)C3=CC=CS3

InChI

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