7-(2-cyanophenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-cyanophenyl)sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(2-cyanophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-cyanophenyl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(2-cyanophenyl)sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-cyanophenyl)thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H10N2O3S2 MolecularWeight: 318.3708

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C14H10N2O3S2/c15-7-8-3-1-2-4-10(8)21-11-12(17)16-9(14(18)19)5-6-20-13(11)16/h1-5,11,13H,6H2,(H,18,19)