(diphenylmethyl) (7R)-3-oxidanyl-8-oxidanylidene-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) (7R)-3-oxidanyl-8-oxidanylidene-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl (7R)-3-hydroxy-8-oxo-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (7R)-7-[[anilino(oxo)methyl]amino]-3-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (7R)-3-hydroxy-8-oxo-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (7R)-3-hydroxy-8-keto-7-(phenylcarbamoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C27H25N3O5S MolecularWeight: 503.5695

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N2C(S1)C(C2=O)NC(=O)NC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

C1C(C(N2C(S1)[C@@H](C2=O)NC(=O)NC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C27H25N3O5S/c31-20-16-36-25-21(29-27(34)28-19-14-8-3-9-15-19)24(32)30(25)22(20)26(33)35-23(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-15,20-23,25,31H,16H2,(H2,28,29,34)/t20?,21-,22?,25?/m1/s1