methyl (2S)-2-(2-dibenzofuran-2-yloxyethanoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-(2-dibenzofuran-2-yloxyethanoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(2-dibenzofuran-2-yloxyacetyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(2-dibenzofuranyloxy)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-dibenzofuran-2-yloxyacetyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-dibenzofuran-2-yloxyacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)COC1=CC2=C(C=C1)OC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)COC1=CC2=C(C=C1)OC3=CC=CC=C32

InChI

InChI=1S/C20H21NO5S/c1-24-20(23)16(9-10-27-2)21-19(22)12-25-13-7-8-18-15(11-13)14-5-3-4-6-17(14)26-18/h3-8,11,16H,9-10,12H2,1-2H3,(H,21,22)/t16-/m0/s1