(phenylmethyl) 3-methyl-8-oxidanylidene-7-(prop-2-enoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-methyl-8-oxidanylidene-7-(prop-2-enoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-(allyloxycarbonylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-methyl-8-oxo-7-[[oxo(prop-2-enoxy)methyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methyl-8-oxo-7-(prop-2-enoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(allyloxycarbonylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)OCC=C)SC1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)OCC=C)SC1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5S/c1-3-9-25-19(24)20-14-16(22)21-15(12(2)11-27-17(14)21)18(23)26-10-13-7-5-4-6-8-13/h3-8,14,17H,1,9-11H2,2H3,(H,20,24)