6-(1-hydroxyethyl)-7-oxidanylidene-3-[(prop-2-enoxycarbonylamino)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-[(prop-2-enoxycarbonylamino)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[(allyloxycarbonylamino)methyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-[[[oxo(prop-2-enoxy)methyl]amino]methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-[(prop-2-enoxycarbonylamino)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(allyloxycarbonylamino)methyl]-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H15N2O6S- MolecularWeight: 327.333

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)CNC(=O)OCC=C)C(=O)[O-])O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)CNC(=O)OCC=C)C(=O)[O-])O

InChI

InChI=1S/C13H16N2O6S/c1-3-4-21-13(20)14-5-7-9(12(18)19)15-10(17)8(6(2)16)11(15)22-7/h3,6,8,11,16H,1,4-5H2,2H3,(H,14,20)(H,18,19)/p-1