O2,O3-diethyl O5-methyl 4-ethylsulfanyl-2-isoquinolin-1-yl-3H-thiophene-2,3,5-tricarboxylate

Systemtic Name: O2,O3-diethyl O5-methyl 4-ethylsulfanyl-2-isoquinolin-1-yl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: O2,O3-diethyl O5-methyl 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 O2,O3-diethyl ester O5-methyl ester IUPAC Name: 2-O,3-O-diethyl 5-O-methyl 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 O2,O3-diethyl ester O5-methyl ester Formula: C23H25NO6S2 MolecularWeight: 475.5777

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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)OC)SCC

Isomeric SMILES

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

InChI

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