(diphenylmethyl) 7-[[(2E)-2-[5-[(E)-dimethylaminomethylideneamino]-1,2,4-thiadiazol-3-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-[5-[(E)-dimethylaminomethylideneamino]-1,2,4-thiadiazol-3-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-3-ethenyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-2-[5-[(E)-dimethylaminomethyleneamino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[5-[(E)-dimethylaminomethylideneamino]-1,2,4-thiadiazol-3-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-[5-[(E)-dimethylaminomethylideneamino]-1,2,4-thiadiazol-3-yl]-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-(2-tert-butoxy-2-keto-ethyl)oximino-2-[5-[(E)-dimethylaminomethyleneamino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-keto-3-vinyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C35H37N7O7S2 MolecularWeight: 731.84098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=NSC(=N1)N=CN(C)C)C(=O)NC2C3N(C2=O)C(=C(CS3)C=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=NSC(=N1)/N=C/N(C)C)/C(=O)NC2C3N(C2=O)C(=C(CS3)C=C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C35H37N7O7S2/c1-7-21-19-50-32-26(31(45)42(32)27(21)33(46)48-28(22-14-10-8-11-15-22)23-16-12-9-13-17-23)37-30(44)25(39-47-18-24(43)49-35(2,3)4)29-38-34(51-40-29)36-20-41(5)6/h7-17,20,26,28,32H,1,18-19H2,2-6H3,(H,37,44)/b36-20+,39-25+