(phenylmethyl) 3-(3-acetyloxypyridin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-acetyloxypyridin-2-yl)sulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 3-[(3-acetoxy-2-pyridyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(3-acetyloxy-2-pyridinyl)thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-acetyloxypyridin-2-yl)sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(3-acetoxy-2-pyridyl)thio]-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N=CC=C1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=C(N=CC=C1)SC2=C(N3C(C2)CC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-13(24)28-16-8-5-9-22-20(16)29-17-10-15-11-18(25)23(15)19(17)21(26)27-12-14-6-3-2-4-7-14/h2-9,15H,10-12H2,1H3