2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Openeye Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid CAS Name: 2-[(4-cyanophenyl)methylthio]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid IUPAC Name: 2-[(4-cyanophenyl)methylsulfanyl]-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Traditional Name: 2-[(4-cyanobenzyl)thio]-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=C(C=C3)C#N)C(=O)O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O2S2/c23-12-14-7-9-15(10-8-14)13-28-21-20(22(25)26)19(18-6-3-11-27-18)16-4-1-2-5-17(16)24-21/h3,6-11H,1-2,4-5,13H2,(H,25,26)