ethyl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CN(C3=CC=CC=C32)C=C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CN(C3=CC=CC=C32)C=C

InChI

InChI=1S/C20H21N3O3S/c1-5-22-12-23(16-10-8-7-9-15(16)22)11-17(24)21-19-18(20(25)26-6-2)13(3)14(4)27-19/h5,7-10,12H,1,6,11H2,2-4H3/p+1