ethyl 2-(3-methylisoquinolin-2-ium-2-yl)-3,3-bis(methylsulfanyl)prop-2-enoate

Systemtic Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)-3,3-bis(methylsulfanyl)prop-2-enoate Openeye Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)-3,3-bis(methylsulfanyl)prop-2-enoate CAS Name: 2-(3-methyl-2-isoquinolin-2-iumyl)-3,3-bis(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3-methylisoquinolin-2-ium-2-yl)-3,3-bis(methylsulfanyl)prop-2-enoate Traditional Name: 2-(3-methylisoquinolin-2-ium-2-yl)-3,3-bis(methylthio)acrylic acid ethyl ester Formula: C17H20NO2S2+ MolecularWeight: 334.4762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC)[N+]1=CC2=CC=CC=C2C=C1C

Isomeric SMILES

CCOC(=O)C(=C(SC)SC)[N+]1=CC2=CC=CC=C2C=C1C

InChI

InChI=1S/C17H20NO2S2/c1-5-20-16(19)15(17(21-3)22-4)18-11-14-9-7-6-8-13(14)10-12(18)2/h6-11H,5H2,1-4H3/q+1