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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[(2-phenyl-3-pyrazolyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(2-phenylpyrazol-3-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H14N4O3S2 MolecularWeight: 374.43736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O3S2/c17-12-14(21)19-13(16(22)23)10(8-24-15(12)19)25-11-6-7-18-20(11)9-4-2-1-3-5-9/h1-7,12,15H,8,17H2,(H,22,23)