(phenylmethyl) 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 6-(1-hydroxyethyl)-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-hydroxyethyl)-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)OCC3=CC=CC=C3)SC4=CC=CC=C4)O

InChI

InChI=1S/C22H21NO4S/c1-14(24)19-17-12-18(28-16-10-6-3-7-11-16)20(23(17)21(19)25)22(26)27-13-15-8-4-2-5-9-15/h2-11,14,17,19,24H,12-13H2,1H3