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

Systemtic Name: methyl 4-[2-[(4-bromophenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-bromophenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-bromophenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

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