methyl 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O4S2 MolecularWeight: 364.43924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H16N2O4S2/c1-22-16(20)14-10-5-4-6-11(10)24-15(14)17-12(19)9-23-13-7-2-3-8-18(13)21/h2-3,7-8H,4-6,9H2,1H3,(H,17,19)