triethyl 2-isoquinolin-1-yl-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate

Systemtic Name: triethyl 2-isoquinolin-1-yl-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: triethyl 2-(1-isoquinolyl)-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate CAS Name: 2-(1-isoquinolinyl)-4-(methylthio)-3H-thiophene-2,3,5-tricarboxylic acid triethyl ester IUPAC Name: triethyl 2-isoquinolin-1-yl-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate Traditional Name: 2-(1-isoquinolyl)-4-(methylthio)-3H-thiophene-2,3,5-tricarboxylic acid triethyl ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C(SC1(C2=NC=CC3=CC=CC=C32)C(=O)OCC)C(=O)OCC)SC

Isomeric SMILES

CCOC(=O)C1C(=C(SC1(C2=NC=CC3=CC=CC=C32)C(=O)OCC)C(=O)OCC)SC

InChI

InChI=1S/C23H25NO6S2/c1-5-28-20(25)16-17(31-4)18(21(26)29-6-2)32-23(16,22(27)30-7-3)19-15-11-9-8-10-14(15)12-13-24-19/h8-13,16H,5-7H2,1-4H3