3-(4-cyano-2-nitro-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(4-cyano-2-nitro-phenyl)sulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(4-cyano-2-nitro-phenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[(4-cyano-2-nitrophenyl)thio]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(4-cyano-2-nitrophenyl)sulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[(4-cyano-2-nitro-phenyl)thio]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H16N4O6S2 MolecularWeight: 496.51564

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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=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O6S2/c23-10-13-6-7-15(14(8-13)26(31)32)34-16-11-33-21-18(20(28)25(21)19(16)22(29)30)24-17(27)9-12-4-2-1-3-5-12/h1-8,18,21H,9,11H2,(H,24,27)(H,29,30)