6-(1-hydroxyethyl)-7-oxidanylidene-3-(phenylmethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-(phenylmethylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-benzylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(phenylmethylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-benzylsulfanyl-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(benzylthio)-6-(1-hydroxyethyl)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H15NO4S2 MolecularWeight: 337.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2N(C1=O)C(=C(S2)SCC3=CC=CC=C3)C(=O)O)O

Isomeric SMILES

CC(C1C2N(C1=O)C(=C(S2)SCC3=CC=CC=C3)C(=O)O)O

InChI

InChI=1S/C15H15NO4S2/c1-8(17)10-12(18)16-11(14(19)20)15(22-13(10)16)21-7-9-5-3-2-4-6-9/h2-6,8,10,13,17H,7H2,1H3,(H,19,20)