(diphenylmethyl) 3-chloranyl-3-methyl-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-chloranyl-3-methyl-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 7-(benzyloxycarbonylamino)-3-chloro-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-chloro-3-methyl-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-chloro-3-methyl-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 7-(benzyloxycarbonylamino)-3-chloro-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C29H27ClN2O5S MolecularWeight: 551.05308

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)Cl

InChI

InChI=1S/C29H27ClN2O5S/c1-29(30)18-38-26-22(31-28(35)36-17-19-11-5-2-6-12-19)25(33)32(26)24(29)27(34)37-23(20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,22-24,26H,17-18H2,1H3,(H,31,35)