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

Systemtic Name: (phenylmethyl) 7-(dimethoxyphosphorylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-(dimethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(dimethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(dimethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(dimethoxyphosphorylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C17H21N2O6PS MolecularWeight: 412.397201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NP(=O)(OC)OC)SC1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(C(C2=O)NP(=O)(OC)OC)SC1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H21N2O6PS/c1-11-10-27-16-13(18-26(22,23-2)24-3)15(20)19(16)14(11)17(21)25-9-12-7-5-4-6-8-12/h4-8,13,16H,9-10H2,1-3H3,(H,18,22)