[2-[(4-nitrophenyl)methoxycarbonylamino]-3-phenyl-propyl] 7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: [2-[(4-nitrophenyl)methoxycarbonylamino]-3-phenyl-propyl] 7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: [2-[(4-nitrophenyl)methoxycarbonylamino]-3-phenyl-propyl] 7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [2-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[(4-nitrophenyl)methoxycarbonylamino]-3-phenylpropyl] 7-sulfanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-thioxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid [2-[(4-nitrobenzyl)oxycarbonylamino]-3-phenyl-propyl] ester Formula: C23H21N3O6S2 MolecularWeight: 499.55934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=S)C(=CS2)C(=O)OCC(CC3=CC=CC=C3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=S)C(=CS2)C(=O)OCC(CC3=CC=CC=C3)NC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S2/c27-22(19-14-34-21-11-20(33)25(19)21)31-13-17(10-15-4-2-1-3-5-15)24-23(28)32-12-16-6-8-18(9-7-16)26(29)30/h1-9,14,17,21H,10-13H2,(H,24,28)