methyl 4-[2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(5-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(5-bromo-2-methyl-phenyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(5-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(5-bromo-2-methylphenyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(5-bromo-2-methyl-phenyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H16BrNO3S MolecularWeight: 394.28284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Br)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Br)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H16BrNO3S/c1-11-3-6-13(18)9-15(11)23-10-16(20)19-14-7-4-12(5-8-14)17(21)22-2/h3-9H,10H2,1-2H3,(H,19,20)