ethyl 2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N3O3S3+ MolecularWeight: 458.5968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H19N3O3S3/c1-3-27-20(26)18-13(16-9-6-10-28-16)11-29-19(18)23-17(25)12-30-21-22-14-7-4-5-8-15(14)24(21)2/h4-11H,3,12H2,1-2H3,(H,23,25,26)/p+1