ethyl 1-ethyl-2-methyl-3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-methyl-3-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-2-methyl-3-[2-[2-(methylthio)anilino]-2-oxoethyl]-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-methyl-3-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-keto-2-[2-(methylthio)anilino]ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3SC)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=CC=CC=C3SC)C

InChI

InChI=1S/C22H25N3O3S/c1-5-24-15(3)25(14-21(26)23-17-9-7-8-10-20(17)29-4)19-13-16(11-12-18(19)24)22(27)28-6-2/h7-13H,5-6,14H2,1-4H3/p+1