(3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) thiophene-2-carboxylate

Systemtic Name: (3-butyl-7-methyl-6-oxidanylidene-7-propanoyloxy-isoquinolin-8-yl) thiophene-2-carboxylate Openeye Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxy-8-isoquinolyl) thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [3-butyl-7-methyl-6-oxo-7-(1-oxopropoxy)-8-isoquinolinyl] ester IUPAC Name: (3-butyl-7-methyl-6-oxo-7-propanoyloxyisoquinolin-8-yl) thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-butyl-6-keto-7-methyl-7-propionyloxy-8-isoquinolyl) ester Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=CC=CS3)(C)OC(=O)CC

Isomeric SMILES

CCCCC1=CC2=CC(=O)C(C(=C2C=N1)OC(=O)C3=CC=CS3)(C)OC(=O)CC

InChI

InChI=1S/C22H23NO5S/c1-4-6-8-15-11-14-12-18(24)22(3,28-19(25)5-2)20(16(14)13-23-15)27-21(26)17-9-7-10-29-17/h7,9-13H,4-6,8H2,1-3H3