ethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-(2-thienyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H18N3O4S2+ MolecularWeight: 416.49392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C19H17N3O4S2/c1-2-26-19(25)16-13(14-6-4-8-27-14)11-28-18(16)21-15(23)10-22-7-3-5-12(9-22)17(20)24/h3-9,11H,2,10H2,1H3,(H2-,20,21,23,24,25)/p+1