(4-chlorophenyl) 1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate

Systemtic Name: (4-chlorophenyl) 1-azanyl-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Openeye Name: (4-chlorophenyl) 1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate CAS Name: 1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 1-amino-5-thiophen-2-yl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate Traditional Name: 1-amino-5-(2-thienyl)-6,7,8,9-tetrahydrothien[2,3-c]isoquinoline-2-carboxylic acid (4-chlorophenyl) ester Formula: C22H17ClN2O2S2 MolecularWeight: 440.96558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)OC4=CC=C(C=C4)Cl)N)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C3C(=C2C1)C(=C(S3)C(=O)OC4=CC=C(C=C4)Cl)N)C5=CC=CS5

InChI

InChI=1S/C22H17ClN2O2S2/c23-12-7-9-13(10-8-12)27-22(26)20-18(24)17-14-4-1-2-5-15(14)19(25-21(17)29-20)16-6-3-11-28-16/h3,6-11H,1-2,4-5,24H2