bicyclo[2.2.0]hexa-1(4),2,5-triene; (4-nitrophenyl)methyl 2-(4-acetamido-3-oxidanylidene-1,2-oxazolidin-2-yl)-5-oxidanylidene-3-phenylsulfanyl-oxolane-2-carboxylate

Systemtic Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (4-nitrophenyl)methyl 2-(4-acetamido-3-oxidanylidene-1,2-oxazolidin-2-yl)-5-oxidanylidene-3-phenylsulfanyl-oxolane-2-carboxylate Openeye Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (4-nitrophenyl)methyl 2-(4-acetamido-3-oxo-isoxazolidin-2-yl)-5-oxo-3-phenylsulfanyl-tetrahydrofuran-2-carboxylate CAS Name: 2-(4-acetamido-3-oxo-2-isoxazolidinyl)-5-oxo-3-(phenylthio)-2-oxolanecarboxylic acid (4-nitrophenyl)methyl ester; bicyclo[2.2.0]hexa-1(4),2,5-triene IUPAC Name: bicyclo[2.2.0]hexa-1(4),2,5-triene; (4-nitrophenyl)methyl 2-(4-acetamido-3-oxo-1,2-oxazolidin-2-yl)-5-oxo-3-phenylsulfanyloxolane-2-carboxylate Traditional Name: 2-(4-acetamido-3-keto-isoxazolidin-2-yl)-5-keto-3-(phenylthio)tetrahydrofuran-2-carboxylic acid (4-nitrobenzyl) ester; bicyclo[2.2.0]hexa-1(4),2,5-triene Formula: C29H25N3O9S MolecularWeight: 591.5885

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CON(C1=O)C2(C(CC(=O)O2)SC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-].C1=CC2=C1C=C2

Isomeric SMILES

CC(=O)NC1CON(C1=O)C2(C(CC(=O)O2)SC3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-].C1=CC2=C1C=C2

InChI

InChI=1S/C23H21N3O9S.C6H4/c1-14(27)24-18-13-34-25(21(18)29)23(19(11-20(28)35-23)36-17-5-3-2-4-6-17)22(30)33-12-15-7-9-16(10-8-15)26(31)32;1-2-6-4-3-5(1)6/h2-10,18-19H,11-13H2,1H3,(H,24,27);1-4H