methyl 6-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoate CAS Name: 6-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoate Traditional Name: 6-[[2-[(4-bromophenyl)thio]acetyl]amino]hexanoic acid methyl ester Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CSC1=CC=C(C=C1)Br

Isomeric SMILES

COC(=O)CCCCCNC(=O)CSC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO3S/c1-20-15(19)5-3-2-4-10-17-14(18)11-21-13-8-6-12(16)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,17,18)