[2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-amino]ethyl] ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-20(11-16(22)19-14-5-3-4-6-15(14)27-2)17(23)12-26-18(24)13-7-9-21(25)10-8-13/h3-10H,11-12H2,1-2H3,(H,19,22)