methyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(4-bromophenyl)imidazol-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C16H18BrN3O3S MolecularWeight: 412.30142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC=CN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN3O3S/c1-23-15(22)3-2-8-18-14(21)11-24-16-19-9-10-20(16)13-6-4-12(17)5-7-13/h4-7,9-10H,2-3,8,11H2,1H3,(H,18,21)