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

Systemtic Name: ethyl 2-isoquinolin-2-ium-2-yl-3,3-bis(methylsulfanyl)prop-2-enoate Openeye Name: ethyl 2-isoquinolin-2-ium-2-yl-3,3-bis(methylsulfanyl)prop-2-enoate CAS Name: 2-(2-isoquinolin-2-iumyl)-3,3-bis(methylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-isoquinolin-2-ium-2-yl-3,3-bis(methylsulfanyl)prop-2-enoate Traditional Name: 2-isoquinolin-2-ium-2-yl-3,3-bis(methylthio)acrylic acid ethyl ester Formula: C16H18NO2S2+ MolecularWeight: 320.44962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SC)SC)[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCOC(=O)C(=C(SC)SC)[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C16H18NO2S2/c1-4-19-15(18)14(16(20-2)21-3)17-10-9-12-7-5-6-8-13(12)11-17/h5-11H,4H2,1-3H3/q+1