ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-ethanoylpyridin-1-ium-1-yl)ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(3-acetyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-(3-acetylpyridin-1-ium-1-yl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N2O4S+ MolecularWeight: 373.44604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C19H20N2O4S/c1-3-25-19(24)17-14-7-4-8-15(14)26-18(17)20-16(23)11-21-9-5-6-13(10-21)12(2)22/h5-6,9-10H,3-4,7-8,11H2,1-2H3/p+1