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

Systemtic Name: trimethyl 2-isoquinolin-1-yl-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: trimethyl 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 trimethyl ester IUPAC Name: trimethyl 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 trimethyl ester Formula: C20H19NO6S2 MolecularWeight: 433.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=C(SC1(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC)SC

Isomeric SMILES

COC(=O)C1C(=C(SC1(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC)SC

InChI

InChI=1S/C20H19NO6S2/c1-25-17(22)13-14(28-4)15(18(23)26-2)29-20(13,19(24)27-3)16-12-8-6-5-7-11(12)9-10-21-16/h5-10,13H,1-4H3