methyl 5-[(5-methoxyisoquinolin-1-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-methoxyisoquinolin-1-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-methoxy-1-isoquinolyl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-methoxy-1-isoquinolinyl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-methoxyisoquinolin-1-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-methoxy-1-isoquinolyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CN=C2SCC3=CC=C(O3)C(=O)OC

Isomeric SMILES

COC1=CC=CC2=C1C=CN=C2SCC3=CC=C(O3)C(=O)OC

InChI

InChI=1S/C17H15NO4S/c1-20-14-5-3-4-13-12(14)8-9-18-16(13)23-10-11-6-7-15(22-11)17(19)21-2/h3-9H,10H2,1-2H3