(7R)-3-[(E)-2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethenyl]-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (7R)-3-[(E)-2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethenyl]-8-oxidanylidene-7-(2-phenylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (7R)-3-[(E)-2-[3-(4-chlorophenyl)isoxazol-5-yl]vinyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (7R)-3-[(E)-2-[3-(4-chlorophenyl)-5-isoxazolyl]ethenyl]-8-oxo-7-[[1-oxo-2-(phenylthio)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (7R)-3-[(E)-2-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethenyl]-8-oxo-7-[(2-phenylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (7R)-3-[(E)-2-[3-(4-chlorophenyl)isoxazol-5-yl]vinyl]-8-keto-7-[[2-(phenylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C26H20ClN3O5S2 MolecularWeight: 554.0371

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O)C=CC4=CC(=NO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C(=C(N2C(S1)[C@@H](C2=O)NC(=O)CSC3=CC=CC=C3)C(=O)O)/C=C/C4=CC(=NO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H20ClN3O5S2/c27-17-9-6-15(7-10-17)20-12-18(35-29-20)11-8-16-13-37-25-22(24(32)30(25)23(16)26(33)34)28-21(31)14-36-19-4-2-1-3-5-19/h1-12,22,25H,13-14H2,(H,28,31)(H,33,34)/b11-8+/t22-,25?/m1/s1