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

Systemtic Name: (diphenylmethyl) 3-chloranyl-3-methyl-7-(2-methylpropoxycarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 3-chloro-7-(isobutoxycarbonylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 3-chloro-3-methyl-7-[[2-methylpropoxy(oxo)methyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-chloro-3-methyl-7-(2-methylpropoxycarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 3-chloro-7-(isobutoxycarbonylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C26H29ClN2O5S MolecularWeight: 517.03686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC1C2N(C1=O)C(C(CS2)(C)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(=O)NC1C2N(C1=O)C(C(CS2)(C)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29ClN2O5S/c1-16(2)14-33-25(32)28-19-22(30)29-21(26(3,27)15-35-23(19)29)24(31)34-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,16,19-21,23H,14-15H2,1-3H3,(H,28,32)