(4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-benzamido-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-benzamido-7-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(acetoxymethyl)-7-benzamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-benzamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(acetyloxymethyl)-7-benzamido-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-benzamido-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C25H23N3O9S MolecularWeight: 541.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C3=CC=CC=C3)OC)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)C3=CC=CC=C3)OC)SC1)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O9S/c1-15(29)36-13-18-14-38-24-25(35-2,26-21(30)17-6-4-3-5-7-17)23(32)27(24)20(18)22(31)37-12-16-8-10-19(11-9-16)28(33)34/h3-11,24H,12-14H2,1-2H3,(H,26,30)