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

Systemtic Name: methyl 4-[[2-(4-bromophenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-bromophenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-bromophenyl)thio]acetyl]amino]methyl]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)CNC(=O)CSC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

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