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

Systemtic Name: trimethyl 4-ethylsulfanyl-2-isoquinolin-1-yl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: trimethyl 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 trimethyl ester IUPAC Name: trimethyl 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 trimethyl ester Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(SC(C1C(=O)OC)(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC

Isomeric SMILES

CCSC1=C(SC(C1C(=O)OC)(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21NO6S2/c1-5-29-15-14(18(23)26-2)21(20(25)28-4,30-16(15)19(24)27-3)17-13-9-7-6-8-12(13)10-11-22-17/h6-11,14H,5H2,1-4H3