methyl 2-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(4-bromobenzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSCC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H16BrNO3S/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)11-23-10-12-6-8-13(18)9-7-12/h2-9H,10-11H2,1H3,(H,19,20)