2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]ethanoate Openeye Name: 2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]acetate CAS Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]acetate IUPAC Name: 2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]acetate Formula: C16H13N2O2S2- MolecularWeight: 329.41662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC(=O)[O-])C3=CC=CS3

InChI

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