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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(S1)(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC)SCC

Isomeric SMILES

CCOC(=O)C1=C(C(C(S1)(C2=NC=CC3=CC=CC=C32)C(=O)OC)C(=O)OC)SCC

InChI

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