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

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(3-ethenylbenzimidazol-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-4-methyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(3-ethenyl-1-benzimidazol-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-(3-ethenylbenzimidazol-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(3-vinylbenzimidazol-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N4O4S+ MolecularWeight: 413.47014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4S/c1-4-23-11-24(14-9-7-6-8-13(14)23)10-15(25)22-19-16(20(27)28-5-2)12(3)17(29-19)18(21)26/h4,6-9,11H,1,5,10H2,2-3H3,(H2-,21,22,25,26,27)/p+1