3-(6-methylpyridin-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-(6-methylpyridin-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-(6-methyl-3-pyridyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-(6-methyl-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-(6-methylpyridin-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)-7-keto-3-(6-methyl-3-pyridyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=C(N3C(S2)C(C3=O)C(C)OC(=O)OCC=C)C(=O)O

Isomeric SMILES

CC1=NC=C(C=C1)C2=C(N3C(S2)C(C3=O)C(C)OC(=O)OCC=C)C(=O)O

InChI

InChI=1S/C18H18N2O6S/c1-4-7-25-18(24)26-10(3)12-15(21)20-13(17(22)23)14(27-16(12)20)11-6-5-9(2)19-8-11/h4-6,8,10,12,16H,1,7H2,2-3H3,(H,22,23)