4-[ethenylsulfanyl(phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[ethenylsulfanyl(phenyl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-4-[phenyl(vinylsulfanyl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(ethenylthio)-phenylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[ethenylsulfanyl(phenyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-4-[phenyl-(vinylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15NO3S2 MolecularWeight: 333.4252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CSC(C1C=C(N2C(S1)CC2=O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C=CSC(C1C=C(N2C(S1)CC2=O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C16H15NO3S2/c1-2-21-15(10-6-4-3-5-7-10)12-8-11(16(19)20)17-13(18)9-14(17)22-12/h2-8,12,14-15H,1,9H2,(H,19,20)