6,7-dimethoxy-1-[3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)phenyl]carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-dimethoxy-1-[3-(2-oxidanylidene-2-thiomorpholin-4-yl-ethoxy)phenyl]carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6,7-dimethoxy-1-[3-(2-oxo-2-thiomorpholino-ethoxy)benzoyl]isoquinoline-4-carboxylic acid CAS Name: 6,7-dimethoxy-1-[oxo-[3-(2-oxo-2-thiomorpholin-4-ylethoxy)phenyl]methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-dimethoxy-1-[3-(2-oxo-2-thiomorpholin-4-ylethoxy)benzoyl]isoquinoline-4-carboxylic acid Traditional Name: 1-[3-(2-keto-2-thiomorpholino-ethoxy)benzoyl]-6,7-dimethoxy-isoquinoline-4-carboxylic acid Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)N4CCSCC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2C(=O)C3=CC(=CC=C3)OCC(=O)N4CCSCC4)C(=O)O)OC

InChI

InChI=1S/C25H24N2O7S/c1-32-20-11-17-18(12-21(20)33-2)23(26-13-19(17)25(30)31)24(29)15-4-3-5-16(10-15)34-14-22(28)27-6-8-35-9-7-27/h3-5,10-13H,6-9,14H2,1-2H3,(H,30,31)