3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-one

Systemtic Name: 3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-one Openeye Name: 3-methoxy-1-(3-quinolylmethylsulfanyl)butan-2-one CAS Name: 3-methoxy-1-(3-quinolinylmethylthio)-2-butanone IUPAC Name: 3-methoxy-1-(quinolin-3-ylmethylsulfanyl)butan-2-one Traditional Name: 3-methoxy-1-(3-quinolylmethylthio)butan-2-one Formula: C15H17NO2S MolecularWeight: 275.36598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CSCC1=CC2=CC=CC=C2N=C1)OC

Isomeric SMILES

CC(C(=O)CSCC1=CC2=CC=CC=C2N=C1)OC

InChI

InChI=1S/C15H17NO2S/c1-11(18-2)15(17)10-19-9-12-7-13-5-3-4-6-14(13)16-8-12/h3-8,11H,9-10H2,1-2H3