N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: N-[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: N-[3-(difluoromethoxy)-4-methoxyphenyl]-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: N-[3-(difluoromethoxy)-4-methoxy-phenyl]-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C21H24F2N2O5S MolecularWeight: 454.487466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)OC(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2)OC(F)F

InChI

InChI=1S/C21H24F2N2O5S/c1-28-17-9-8-14(12-18(17)30-21(22)23)24-20(27)16(10-11-31-2)25-19(26)13-29-15-6-4-3-5-7-15/h3-9,12,16,21H,10-11,13H2,1-2H3,(H,24,27)(H,25,26)