(phenylmethyl) 3-(acetyloxymethyl)-7-azanyl-6-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(acetyloxymethyl)-7-azanyl-6-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 3-(acetoxymethyl)-7-amino-6-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-amino-6-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(acetyloxymethyl)-7-amino-6-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-amino-8-keto-6-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)OC)N)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OCC1=C(N2C(=O)C(C2(SC1)OC)N)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O6S/c1-11(21)25-9-13-10-27-18(24-2)15(19)16(22)20(18)14(13)17(23)26-8-12-6-4-3-5-7-12/h3-7,15H,8-10,19H2,1-2H3