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

Systemtic Name: methyl 2-cyano-3-[(3-methylbenzimidazol-3-ium-1-yl)amino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl 2-cyano-3-[(3-methylbenzimidazol-3-ium-1-yl)amino]-3-methylsulfanyl-prop-2-enoate CAS Name: 2-cyano-3-[(3-methyl-1-benzimidazol-3-iumyl)amino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-[(3-methylbenzimidazol-3-ium-1-yl)amino]-3-methylsulfanylprop-2-enoate Traditional Name: 2-cyano-3-[(3-methylbenzimidazol-3-ium-1-yl)amino]-3-(methylthio)acrylic acid methyl ester Formula: C14H15N4O2S+ MolecularWeight: 303.3595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)NC(=C(C#N)C(=O)OC)SC

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)NC(=C(C#N)C(=O)OC)SC

InChI

InChI=1S/C14H14N4O2S/c1-17-9-18(12-7-5-4-6-11(12)17)16-13(21-3)10(8-15)14(19)20-2/h4-7,9H,1-3H3/p+1