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

Systemtic Name: O2,O3-diethyl O5-methyl 2-isoquinolin-1-yl-4-methylsulfanyl-3H-thiophene-2,3,5-tricarboxylate Openeye Name: O2,O3-diethyl O5-methyl 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 O2,O3-diethyl ester O5-methyl ester IUPAC Name: 2-O,3-O-diethyl 5-O-methyl 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 O2,O3-diethyl ester O5-methyl ester Formula: C22H23NO6S2 MolecularWeight: 461.55112

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO6S2/c1-5-28-19(24)15-16(30-4)17(20(25)27-3)31-22(15,21(26)29-6-2)18-14-10-8-7-9-13(14)11-12-23-18/h7-12,15H,5-6H2,1-4H3