ethyl 5-chloranyl-2-[2-(4-chloranyl-3-methyl-imidazol-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate chloride

Systemtic Name: ethyl 5-chloranyl-2-[2-(4-chloranyl-3-methyl-imidazol-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate chloride Openeye Name: ethyl 5-chloro-2-[[2-(4-chloro-3-methyl-imidazol-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate chloride CAS Name: 5-chloro-2-[[2-(4-chloro-3-methyl-1-imidazol-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester chloride IUPAC Name: ethyl 5-chloro-2-[[2-(4-chloro-3-methylimidazol-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate chloride Traditional Name: 5-chloro-2-[[2-(4-chloro-3-methyl-imidazol-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester chloride Formula: C19H18Cl3N3O3S MolecularWeight: 474.78852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[N+]3=CN(C(=C3)Cl)C.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Cl)NC(=O)C[N+]3=CN(C(=C3)Cl)C.[Cl-]

InChI

InChI=1S/C19H17Cl2N3O3S.ClH/c1-3-27-19(26)16-15(12-7-5-4-6-8-12)17(21)28-18(16)22-14(25)10-24-9-13(20)23(2)11-24;/h4-9,11H,3,10H2,1-2H3;1H