(4-nitrophenyl)methyl 7-oxidanylidene-3-pyrrolidin-1-ylcarbonylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 7-oxidanylidene-3-pyrrolidin-1-ylcarbonylsulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 7-oxo-3-(pyrrolidine-1-carbonylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-[[oxo(1-pyrrolidinyl)methyl]thio]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 7-oxo-3-(pyrrolidine-1-carbonylsulfanyl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(pyrrolidine-1-carbonylthio)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)SC2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)SC2=C(N3C(S2)CC3=O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6S2/c22-13-9-14-20(13)15(17(28-14)29-18(24)19-7-1-2-8-19)16(23)27-10-11-3-5-12(6-4-11)21(25)26/h3-6,14H,1-2,7-10H2