methyl 5-[[[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylamino]carbamoyl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[[[1-(2-oxidanylidene-2-thiophen-2-yl-ethyl)pyridin-1-ium-3-yl]carbonylamino]carbamoyl]pyridine-2-carboxylate Openeye Name: methyl 5-[[[1-[2-oxo-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]amino]carbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[oxo-[1-(2-oxo-2-thiophen-2-ylethyl)-3-pyridin-1-iumyl]methyl]hydrazo]methyl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[[[1-(2-oxo-2-thiophen-2-ylethyl)pyridin-1-ium-3-carbonyl]amino]carbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[[1-[2-keto-2-(2-thienyl)ethyl]pyridin-1-ium-3-carbonyl]amino]carbamoyl]picolinic acid methyl ester Formula: C20H17N4O5S+ MolecularWeight: 425.43778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C(=O)NNC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CS3

InChI

InChI=1S/C20H16N4O5S/c1-29-20(28)15-7-6-13(10-21-15)18(26)22-23-19(27)14-4-2-8-24(11-14)12-16(25)17-5-3-9-30-17/h2-11H,12H2,1H3,(H-,21,22,23,26,27,28)/p+1