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

Systemtic Name: ethyl 5-ethanoyl-2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-5-23-12-24(16-10-8-7-9-15(16)23)11-17(26)22-20-18(21(27)28-6-2)13(3)19(29-20)14(4)25/h5,7-10,12H,1,6,11H2,2-4H3/p+1