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

Systemtic Name: (2R)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-2-phenyl-ethanoate Openeye Name: (2R)-2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl]-2-phenyl-acetate CAS Name: (2R)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)thio]-2-phenylacetate IUPAC Name: (2R)-2-[(4-cyano-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-2-phenylacetate Traditional Name: (2R)-2-[[4-cyano-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinolin-3-yl]thio]-2-phenyl-acetate Formula: C22H17N2O2S2- MolecularWeight: 405.51258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SC(C3=CC=CC=C3)C(=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)S[C@H](C3=CC=CC=C3)C(=O)[O-])C4=CC=CS4

InChI

InChI=1S/C22H18N2O2S2/c23-13-17-15-9-4-5-10-16(15)19(18-11-6-12-27-18)24-21(17)28-20(22(25)26)14-7-2-1-3-8-14/h1-3,6-8,11-12,20H,4-5,9-10H2,(H,25,26)/p-1/t20-/m1/s1