6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 6-ethyl-7-oxidanylidene-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 6-ethyl-7-oxo-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 6-ethyl-7-keto-3-(phenylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C15H15NO3S MolecularWeight: 289.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=CC=CC=C3

Isomeric SMILES

CCC1C2CC(=C(N2C1=O)C(=O)O)SC3=CC=CC=C3

InChI

InChI=1S/C15H15NO3S/c1-2-10-11-8-12(20-9-6-4-3-5-7-9)13(15(18)19)16(11)14(10)17/h3-7,10-11H,2,8H2,1H3,(H,18,19)