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

Systemtic Name: ethyl 2-[2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N3O4S+ MolecularWeight: 410.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C21H19N3O4S/c1-2-28-21(27)18-16(14-7-4-3-5-8-14)13-29-20(18)23-17(25)12-24-10-6-9-15(11-24)19(22)26/h3-11,13H,2,12H2,1H3,(H2-,22,23,25,26,27)/p+1