3-(2-chloranylpyridin-3-yl)-7-oxidanylidene-6-(1-prop-2-enoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-(2-chloranylpyridin-3-yl)-7-oxidanylidene-6-(1-prop-2-enoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-allyloxycarbonyloxyethyl)-3-(2-chloro-3-pyridyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(2-chloro-3-pyridinyl)-7-oxo-6-[1-[oxo(prop-2-enoxy)methoxy]ethyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-(2-chloropyridin-3-yl)-7-oxo-6-(1-prop-2-enoxycarbonyloxyethyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-(1-allyloxycarbonyloxyethyl)-3-(2-chloro-3-pyridyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)C3=C(N=CC=C3)Cl)C(=O)O)OC(=O)OCC=C

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)C3=C(N=CC=C3)Cl)C(=O)O)OC(=O)OCC=C

InChI

InChI=1S/C17H15ClN2O6S/c1-3-7-25-17(24)26-8(2)10-14(21)20-11(16(22)23)12(27-15(10)20)9-5-4-6-19-13(9)18/h3-6,8,10,15H,1,7H2,2H3,(H,22,23)