(phenylmethyl) 5-deuterio-7-oxidanylidene-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate

Systemtic Name: (phenylmethyl) 5-deuterio-7-oxidanylidene-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Openeye Name: benzyl 5-deuterio-7-oxo-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate CAS Name: 5-deuterio-7-oxo-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-deuterio-7-oxo-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate Traditional Name: 5-deuterio-7-keto-8-oxa-2-thia-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylic acid benzyl ester Formula: C13H11NO4S MolecularWeight: 278.301902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C3C=CSC(C2=O)O3

Isomeric SMILES

[2H]C12C=CSC(O1)C(=O)N2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C13H11NO4S/c15-11-12-18-10(6-7-19-12)14(11)13(16)17-8-9-4-2-1-3-5-9/h1-7,10,12H,8H2/i10D