(4-nitrophenyl)methyl 3-azanyl-8-oxidanylidene-4-phenylazanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-azanyl-8-oxidanylidene-4-phenylazanyl-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-amino-4-anilino-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-amino-4-anilino-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-amino-4-anilino-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-amino-4-anilino-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C26H23N5O6S2 MolecularWeight: 565.62072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2C(=C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)NC2C(=C(N3C(S2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])N

InChI

InChI=1S/C26H23N5O6S2/c27-20-22(26(34)37-14-15-8-10-17(11-9-15)31(35)36)30-24(33)21(29-19(32)13-18-7-4-12-38-18)25(30)39-23(20)28-16-5-2-1-3-6-16/h1-12,21,23,25,28H,13-14,27H2,(H,29,32)