3-ethenyl-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-ethenyl-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-ethenyl-4-[[3-(4-nitrophenyl)-1-oxo-2-phenoxypropyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-ethenyl-4-[[3-(4-nitrophenyl)-2-phenoxypropanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-[[3-(4-nitrophenyl)-2-phenoxy-propanoyl]amino]-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C24H20N3O7S- MolecularWeight: 494.4965

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(N2C(CC2=O)SC1NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C=CC1=C(N2C(CC2=O)SC1NC(=O)C(CC3=CC=C(C=C3)[N+](=O)[O-])OC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c1-2-17-21(24(30)31)26-19(28)13-20(26)35-23(17)25-22(29)18(34-16-6-4-3-5-7-16)12-14-8-10-15(11-9-14)27(32)33/h2-11,18,20,23H,1,12-13H2,(H,25,29)(H,30,31)/p-1