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

Systemtic Name: triethyl 4-ethylsulfanyl-2-isoquinolin-1-yl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: triethyl 4-ethylsulfanyl-2-(1-isoquinolyl)-3H-thiophene-2,3,5-tricarboxylate CAS Name: 4-(ethylthio)-2-(1-isoquinolinyl)-3H-thiophene-2,3,5-tricarboxylic acid triethyl ester IUPAC Name: triethyl 4-ethylsulfanyl-2-isoquinolin-1-yl-3H-thiophene-2,3,5-tricarboxylate Traditional Name: 4-(ethylthio)-2-(1-isoquinolyl)-3H-thiophene-2,3,5-tricarboxylic acid triethyl ester Formula: C24H27NO6S2 MolecularWeight: 489.60428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO6S2/c1-5-29-21(26)17-18(32-8-4)19(22(27)30-6-2)33-24(17,23(28)31-7-3)20-16-12-10-9-11-15(16)13-14-25-20/h9-14,17H,5-8H2,1-4H3