(diphenylmethyl) 4-methoxy-3-methyl-8-oxidanylidene-7-[2-[4-(trifluoromethyl)phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 4-methoxy-3-methyl-8-oxidanylidene-7-[2-[4-(trifluoromethyl)phenyl]ethanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 4-methoxy-3-methyl-8-oxo-7-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 4-methoxy-3-methyl-8-oxo-7-[[1-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 4-methoxy-3-methyl-8-oxo-7-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-4-methoxy-3-methyl-7-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H27F3N2O5S MolecularWeight: 596.61669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)C(F)(F)F)SC1OC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=C(C=C3)C(F)(F)F)SC1OC)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H27F3N2O5S/c1-18-25(29(39)41-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21)36-27(38)24(28(36)42-30(18)40-2)35-23(37)17-19-13-15-22(16-14-19)31(32,33)34/h3-16,24,26,28,30H,17H2,1-2H3,(H,35,37)