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

Systemtic Name: 7-(2-cyanoethanoylamino)-8-oxidanylidene-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-[(2-cyanoacetyl)amino]-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(2-cyano-1-oxoethyl)amino]-8-oxo-3-[(2-phenyl-3-pyrazolyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-[(2-cyanoacetyl)amino]-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(2-cyanoacetyl)amino]-8-keto-3-[(2-phenylpyrazol-3-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H14N5O4S2- MolecularWeight: 440.47556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)[O-])SC3=CC=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC#N)C(=O)[O-])SC3=CC=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H15N5O4S2/c20-8-6-13(25)22-15-17(26)23-16(19(27)28)12(10-29-18(15)23)30-14-7-9-21-24(14)11-4-2-1-3-5-11/h1-5,7,9,15,18H,6,10H2,(H,22,25)(H,27,28)/p-1