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

Systemtic Name: 6-(1-hydroxyethyl)-7-oxidanylidene-3-pentylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-(1-hydroxyethyl)-7-oxo-3-pentylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-(1-hydroxyethyl)-7-oxo-3-(pentylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-(1-hydroxyethyl)-7-oxo-3-pentylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-(amylthio)-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

Isomeric SMILES

CCCCCSC1=C(N2C(C1)C(C2=O)C(C)O)C(=O)O

InChI

InChI=1S/C14H21NO4S/c1-3-4-5-6-20-10-7-9-11(8(2)16)13(17)15(9)12(10)14(18)19/h8-9,11,16H,3-7H2,1-2H3,(H,18,19)