phenylazanylmethyl 6-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: phenylazanylmethyl 6-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-7-oxidanylidene-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: anilinomethyl 6-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 6-[[[(4-nitrophenyl)methoxy-oxomethyl]amino]methyl]-7-oxo-6-(3-pyrrolidinylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid anilinomethyl ester IUPAC Name: anilinomethyl 6-[[(4-nitrophenyl)methoxycarbonylamino]methyl]-7-oxo-6-pyrrolidin-3-ylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-6-[[(4-nitrobenzyl)oxycarbonylamino]methyl]-6-(pyrrolidin-3-ylthio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid anilinomethyl ester Formula: C27H29N5O7S MolecularWeight: 567.61346

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)OCNC4=CC=CC=C4)CNC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CNCC1SC2(C3CC=C(N3C2=O)C(=O)OCNC4=CC=CC=C4)CNC(=O)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H29N5O7S/c33-24(39-17-30-19-4-2-1-3-5-19)22-10-11-23-27(25(34)31(22)23,40-21-12-13-28-14-21)16-29-26(35)38-15-18-6-8-20(9-7-18)32(36)37/h1-10,21,23,28,30H,11-17H2,(H,29,35)