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

Systemtic Name: (phenylmethyl) 6-(1-hydroxyethyl)-6-methyl-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-(1-hydroxyethyl)-3-isopropylsulfanyl-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-6-methyl-7-oxo-3-(propan-2-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(1-hydroxyethyl)-6-methyl-7-oxo-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 6-(1-hydroxyethyl)-3-(isopropylthio)-7-keto-6-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(N2C(C1)C(C2=O)(C)C(C)O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=C(N2C(C1)C(C2=O)(C)C(C)O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H25NO4S/c1-12(2)26-15-10-16-20(4,13(3)22)19(24)21(16)17(15)18(23)25-11-14-8-6-5-7-9-14/h5-9,12-13,16,22H,10-11H2,1-4H3