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

Systemtic Name: 4-(4-azanylbutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 4-(4-aminobutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 4-(4-aminobutyl)-6-(1-hydroxyethyl)-3-(methylthio)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 4-(4-aminobutyl)-6-(1-hydroxyethyl)-3-methylsulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 4-(4-aminobutyl)-6-(1-hydroxyethyl)-7-keto-3-(methylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC)CCCCN)O

Isomeric SMILES

CC(C1C2C(C(=C(N2C1=O)C(=O)O)SC)CCCCN)O

InChI

InChI=1S/C14H22N2O4S/c1-7(17)9-10-8(5-3-4-6-15)12(21-2)11(14(19)20)16(10)13(9)18/h7-10,17H,3-6,15H2,1-2H3,(H,19,20)