methyl 5-[2-(diphenylmethyl)sulfanylethanoylamino]-2,4-bis(fluoranyl)benzoate

Systemtic Name: methyl 5-[2-(diphenylmethyl)sulfanylethanoylamino]-2,4-bis(fluoranyl)benzoate Openeye Name: methyl 5-[(2-benzhydrylsulfanylacetyl)amino]-2,4-difluoro-benzoate CAS Name: 5-[[2-[(diphenylmethyl)thio]-1-oxoethyl]amino]-2,4-difluorobenzoic acid methyl ester IUPAC Name: methyl 5-[(2-benzhydrylsulfanylacetyl)amino]-2,4-difluorobenzoate Traditional Name: 5-[[2-(benzhydrylthio)acetyl]amino]-2,4-difluoro-benzoic acid methyl ester Formula: C23H19F2NO3S MolecularWeight: 427.463666

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1F)F)NC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H19F2NO3S/c1-29-23(28)17-12-20(19(25)13-18(17)24)26-21(27)14-30-22(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-13,22H,14H2,1H3,(H,26,27)