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

Systemtic Name: 6-(hydroxymethyl)-6-methyl-7-oxidanylidene-3-(phenylmethylsulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(hydroxymethyl)-6-methyl-7-oxo-3-(phenylmethylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzylsulfanyl-6-(hydroxymethyl)-6-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(benzylthio)-7-keto-6-methyl-6-methylol-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:

CC1(C2CC(=C(N2C1=O)C(=O)O)SCC3=CC=CC=C3)CO

Isomeric SMILES

CC1(C2CC(=C(N2C1=O)C(=O)O)SCC3=CC=CC=C3)CO

InChI

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