methyl 3,5-bis(bromanyl)-2-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3,5-bis(bromanyl)-2-[2-(4-bromophenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate CAS Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3,5-dibromo-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]benzoate Traditional Name: 3,5-dibromo-2-[[2-[(4-bromophenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H12Br3NO3S MolecularWeight: 538.04838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1NC(=O)CSC2=CC=C(C=C2)Br)Br)Br

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1NC(=O)CSC2=CC=C(C=C2)Br)Br)Br

InChI

InChI=1S/C16H12Br3NO3S/c1-23-16(22)12-6-10(18)7-13(19)15(12)20-14(21)8-24-11-4-2-9(17)3-5-11/h2-7H,8H2,1H3,(H,20,21)