ethyl 4-isoquinolin-1-ylsulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-isoquinolin-1-ylsulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(1-isoquinolylsulfanyl)-3-oxo-butanoate CAS Name: 4-(1-isoquinolinylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-isoquinolin-1-ylsulfanyl-3-oxobutanoate Traditional Name: 4-(1-isoquinolylthio)-3-keto-butyric acid ethyl ester Formula: C15H15NO3S MolecularWeight: 289.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC=CC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC=CC2=CC=CC=C21

InChI

InChI=1S/C15H15NO3S/c1-2-19-14(18)9-12(17)10-20-15-13-6-4-3-5-11(13)7-8-16-15/h3-8H,2,9-10H2,1H3