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

Systemtic Name: (diphenylmethyl) 3-[(E)-2-chloranylethenyl]-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-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-(2-formamidothiazol-4-yl)acetyl]amino]-3-[(E)-2-chlorovinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-2-chloroethenyl]-7-[[(2E)-2-(2-formamido-4-thiazolyl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[(E)-2-chloroethenyl]-7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-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-(2-formamidothiazol-4-yl)acetyl]amino]-3-[(E)-2-chlorovinyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C34H32ClN5O8S2 MolecularWeight: 738.22958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=CSC(=N1)NC=O)C(=O)NC2C3N(C2=O)C(=C(CS3)C=CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C34H32ClN5O8S2/c1-34(2,3)48-24(42)16-46-39-25(23-18-50-33(37-23)36-19-41)29(43)38-26-30(44)40-27(22(14-15-35)17-49-31(26)40)32(45)47-28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-15,18-19,26,28,31H,16-17H2,1-3H3,(H,38,43)(H,36,37,41)/b15-14+,39-25+