(4-methoxyphenyl)methyl (2S,5R,6E)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,3-triazol-4-yl]methylidene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (4-methoxyphenyl)methyl (2S,5R,6E)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-1,2,3-triazol-4-yl]methylidene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: (4-methoxyphenyl)methyl (2S,5R,6E)-3,3-dimethyl-4,4,7-trioxo-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]triazol-4-yl]methylene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: (2S,5R,6E)-3,3-dimethyl-4,4,7-trioxo-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]ethyl]-4-triazolyl]methylidene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl (2S,5R,6E)-3,3-dimethyl-4,4,7-trioxo-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]triazol-4-yl]methylidene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: (2S,5R,6E)-4,4,7-triketo-3,3-dimethyl-6-[[1-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)thio]ethyl]triazol-4-yl]methylene]-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid p-anisyl ester Formula: C29H28N6O6S3 MolecularWeight: 652.76422

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1(=O)=O)C(=CC3=CN(N=N3)CCSC4=NN=C(S4)C5=CC=CC=C5)C2=O)C(=O)OCC6=CC=C(C=C6)OC)C

Isomeric SMILES

CC1([C@@H](N2[C@H](S1(=O)=O)/C(=C/C3=CN(N=N3)CCSC4=NN=C(S4)C5=CC=CC=C5)/C2=O)C(=O)OCC6=CC=C(C=C6)OC)C

InChI

InChI=1S/C29H28N6O6S3/c1-29(2)23(27(37)41-17-18-9-11-21(40-3)12-10-18)35-25(36)22(26(35)44(29,38)39)15-20-16-34(33-30-20)13-14-42-28-32-31-24(43-28)19-7-5-4-6-8-19/h4-12,15-16,23,26H,13-14,17H2,1-3H3/b22-15+/t23-,26+/m0/s1