[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-cyano-6-methylsulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-azanyl-5-cyano-6-methylsulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-amino-5-cyano-6-methylsulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-cyano-6-(methylthio)-3-pyridin-1-iumcarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-amino-5-cyano-6-methylsulfanylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-cyano-6-(methylthio)pyridin-1-ium-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=C(C(=C2)C#N)SC)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C([NH+]=C(C(=C2)C#N)SC)N)C

InChI

InChI=1S/C18H18N4O3S/c1-10-4-5-13(6-11(10)2)21-15(23)9-25-18(24)14-7-12(8-19)17(26-3)22-16(14)20/h4-7H,9H2,1-3H3,(H2,20,22)(H,21,23)/p+1