N-(4-methoxypyridin-1-ium-3-yl)-2-thiophen-2-yl-ethanamide; (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: N-(4-methoxypyridin-1-ium-3-yl)-2-thiophen-2-yl-ethanamide; (6S)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: N-(4-methoxypyridin-1-ium-3-yl)-2-(2-thienyl)acetamide; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: N-(4-methoxy-3-pyridin-1-iumyl)-2-thiophen-2-ylacetamide; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: N-(4-methoxypyridin-1-ium-3-yl)-2-thiophen-2-ylacetamide; (6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; N-(4-methoxypyridin-1-ium-3-yl)-2-(2-thienyl)acetamide Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=[NH+]C=C1)NC(=O)CC2=CC=CS2.C1C=C(N2C(S1)CC2=O)C(=O)[O-]

Isomeric SMILES

COC1=C(C=[NH+]C=C1)NC(=O)CC2=CC=CS2.C1C=C(N2[C@@H](S1)CC2=O)C(=O)[O-]

InChI

InChI=1S/C12H12N2O2S.C7H7NO3S/c1-16-11-4-5-13-8-10(11)14-12(15)7-9-3-2-6-17-9;9-5-3-6-8(5)4(7(10)11)1-2-12-6/h2-6,8H,7H2,1H3,(H,14,15);1,6H,2-3H2,(H,10,11)/t;6-/m.0/s1