5-bromanyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(p-tolylsulfanyl)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(p-tolylthio)acetyl]amino]benzoic acid Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14BrNO3S/c1-10-2-5-12(6-3-10)22-9-15(19)18-14-7-4-11(17)8-13(14)16(20)21/h2-8H,9H2,1H3,(H,18,19)(H,20,21)