(1E)-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-N-pyridin-1-ium-1-yl-methanimidate

Systemtic Name: (1E)-1-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-N-pyridin-1-ium-1-yl-methanimidate Openeye Name: (1E)-1-(2-ethoxy-2-oxo-ethyl)sulfanyl-N-pyridin-1-ium-1-yl-methanimidate CAS Name: (1E)-1-[(2-ethoxy-2-oxoethyl)thio]-N-(1-pyridin-1-iumyl)methanimidate IUPAC Name: (1E)-1-(2-ethoxy-2-oxoethyl)sulfanyl-N-pyridin-1-ium-1-ylmethanimidate Traditional Name: (1E)-1-[(2-ethoxy-2-keto-ethyl)thio]-N-pyridin-1-ium-1-yl-formimidate Formula: C10H12N2O3S MolecularWeight: 240.27888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(=N[N+]1=CC=CC=C1)[O-]

Isomeric SMILES

CCOC(=O)CS/C(=N/[N+]1=CC=CC=C1)/[O-]

InChI

InChI=1S/C10H12N2O3S/c1-2-15-9(13)8-16-10(14)11-12-6-4-3-5-7-12/h3-7H,2,8H2,1H3