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

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(2-pyrazol-1-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(2-pyrazol-1-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[[2-(1-pyrazolyl)phenyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(2-pyrazol-1-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-[(2-pyrazol-1-ylphenyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H20N4O4S2 MolecularWeight: 492.57

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C24H20N4O4S2/c29-19(13-15-7-2-1-3-8-15)26-20-22(30)28-21(24(31)32)18(14-33-23(20)28)34-17-10-5-4-9-16(17)27-12-6-11-25-27/h1-12,20,23H,13-14H2,(H,26,29)(H,31,32)