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

Systemtic Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetic acid IUPAC Name: 2-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio]acetic acid Formula: C16H14N2O2S2 MolecularWeight: 330.42456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O2S2/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20)