8-oxidanylidene-7-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(2-phenyl-3-pyrazolyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylpyrazol-3-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=CC=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=CC=NN3C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C16H13N3O3S2/c20-14-13(15-18(14)11(16(21)22)7-9-23-15)24-12-6-8-17-19(12)10-4-2-1-3-5-10/h1-8,13,15H,9H2,(H,21,22)