methyl 6-[[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[2-(4-bromophenyl)sulfanylpyridin-3-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]hexanoate CAS Name: 6-[[[2-[(4-bromophenyl)thio]-3-pyridinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-bromophenyl)sulfanylpyridine-3-carbonyl]amino]hexanoate Traditional Name: 6-[[2-[(4-bromophenyl)thio]nicotinoyl]amino]hexanoic acid methyl ester Formula: C19H21BrN2O3S MolecularWeight: 437.35064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCCCNC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C19H21BrN2O3S/c1-25-17(23)7-3-2-4-12-21-18(24)16-6-5-13-22-19(16)26-15-10-8-14(20)9-11-15/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,21,24)