(4-nitrophenyl)methyl 3-methyl-2-[7-oxidanylidene-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate

Systemtic Name: (4-nitrophenyl)methyl 3-methyl-2-[7-oxidanylidene-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]but-3-enoate Openeye Name: (4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methyl-but-3-enoate CAS Name: 3-methyl-2-[7-oxo-3-(phenylmethyl)-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl]-3-butenoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methylbut-3-enoate Traditional Name: 2-(3-benzyl-7-keto-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-methyl-but-3-enoic acid (4-nitrobenzyl) ester Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C3C(C2=O)N=C(S3)CC4=CC=CC=C4

Isomeric SMILES

CC(=C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2C3C(C2=O)N=C(S3)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S/c1-14(2)20(23(28)31-13-16-8-10-17(11-9-16)26(29)30)25-21(27)19-22(25)32-18(24-19)12-15-6-4-3-5-7-15/h3-11,19-20,22H,1,12-13H2,2H3