(4-nitrophenyl)methyl (2S,7R,8R)-4-[methyl(phenyl)amino]-9-oxidanylidene-8-(2-thiophen-2-ylethanoylamino)-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,7R,8R)-4-[methyl(phenyl)amino]-9-oxidanylidene-8-(2-thiophen-2-ylethanoylamino)-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,7R,8R)-4-(N-methylanilino)-9-oxo-8-[[2-(2-thienyl)acetyl]amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylate CAS Name: (2S,7R,8R)-4-(N-methylanilino)-9-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,7R,8R)-4-(N-methylanilino)-9-oxo-8-[(2-thiophen-2-ylacetyl)amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylate Traditional Name: (2S,7R,8R)-9-keto-4-(N-methylanilino)-8-[[2-(2-thienyl)acetyl]amino]-6-thia-1,3-diazabicyclo[5.2.0]non-3-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C27H25N5O6S2 MolecularWeight: 579.6473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CN(C1=N[C@@H](N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H25N5O6S2/c1-30(18-6-3-2-4-7-18)21-16-40-26-23(29-22(33)14-20-8-5-13-39-20)25(34)31(26)24(28-21)27(35)38-15-17-9-11-19(12-10-17)32(36)37/h2-13,23-24,26H,14-16H2,1H3,(H,29,33)/t23-,24+,26-/m1/s1