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

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

C1C2N(C1=O)C(=C(CS2)SC3=CC=NN3C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)SC3=CC=NN3C4=CC=CC=C4)C(=O)O

InChI

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