methyl 2-cyano-3-[(3-methylimidazol-3-ium-1-yl)amino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl 2-cyano-3-[(3-methylimidazol-3-ium-1-yl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl 2-cyano-3-[(3-methylimidazol-3-ium-1-yl)amino]-3-methylsulfanyl-prop-2-enoate CAS Name: 2-cyano-3-[(3-methyl-1-imidazol-3-iumyl)amino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-[(3-methylimidazol-3-ium-1-yl)amino]-3-methylsulfanylprop-2-enoate Traditional Name: 2-cyano-3-[(3-methylimidazol-3-ium-1-yl)amino]-3-(methylthio)acrylic acid methyl ester Formula: C10H13N4O2S+ MolecularWeight: 253.30082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)NC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

C[N+]1=CN(C=C1)NC(=C(C#N)C(=O)OC)SC

InChI

InChI=1S/C10H12N4O2S/c1-13-4-5-14(7-13)12-9(17-3)8(6-11)10(15)16-2/h4-5,7H,1-3H3/p+1