(diphenylmethyl) 7-azanyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-3-[(3-methylisoxazol-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(3-methyl-5-isoxazolyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(3-methylisoxazol-5-yl)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NOC(=C1)CC2=C(N3C(C(C3=O)N)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c1-15-12-19(32-27-15)13-18-14-33-24-20(26)23(29)28(24)21(18)25(30)31-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-12,20,22,24H,13-14,26H2,1H3