(4-nitrophenyl)methyl 3-ethanoylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethanoylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetylthio)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-acetylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetylthio)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C24H21N3O7S2 MolecularWeight: 527.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S2/c1-14(28)36-18-13-35-23-20(25-19(29)11-15-5-3-2-4-6-15)22(30)26(23)21(18)24(31)34-12-16-7-9-17(10-8-16)27(32)33/h2-10,20,23H,11-13H2,1H3,(H,25,29)