methyl 4-[[2-(4-bromophenyl)sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4-bromophenyl)sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(4-bromophenyl)sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[(4-bromophenyl)thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromophenyl)sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[(4-bromophenyl)thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C18H18BrNO3S MolecularWeight: 408.30942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=CC=C(C=C2)Br

InChI

InChI=1S/C18H18BrNO3S/c1-12(24-16-9-7-15(19)8-10-16)17(21)20-11-13-3-5-14(6-4-13)18(22)23-2/h3-10,12H,11H2,1-2H3,(H,20,21)