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

Systemtic Name: (phenylmethyl) 6-(1-hydroxyethyl)-7-oxidanylidene-3-propan-2-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: benzyl 6-(1-hydroxyethyl)-3-isopropylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-(1-hydroxyethyl)-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)-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-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid benzyl ester Formula: C19H23NO4S MolecularWeight: 361.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO4S/c1-11(2)25-15-9-14-16(12(3)21)18(22)20(14)17(15)19(23)24-10-13-7-5-4-6-8-13/h4-8,11-12,14,16,21H,9-10H2,1-3H3