6-(1-hydroxyethyl)-7-oxidanylidene-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(phenylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzylsulfanyl-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(benzylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCC3=CC=CC=C3)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)O)SCC3=CC=CC=C3)O

InChI

InChI=1S/C16H17NO4S/c1-9(18)13-11-7-12(14(16(20)21)17(11)15(13)19)22-8-10-5-3-2-4-6-10/h2-6,9,11,13,18H,7-8H2,1H3,(H,20,21)