5-bromanyl-2-[2-(dimethylcarbamoyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(dimethylcarbamoyl)phenyl]sulfanyl-benzoic acid Openeye Name: 5-bromo-2-[2-(dimethylcarbamoyl)phenyl]sulfanyl-benzoic acid CAS Name: 5-bromo-2-[[2-[dimethylamino(oxo)methyl]phenyl]thio]benzoic acid IUPAC Name: 5-bromo-2-[2-(dimethylcarbamoyl)phenyl]sulfanylbenzoic acid Traditional Name: 5-bromo-2-[[2-(dimethylcarbamoyl)phenyl]thio]benzoic acid Formula: C16H14BrNO3S MolecularWeight: 380.25626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C16H14BrNO3S/c1-18(2)15(19)11-5-3-4-6-13(11)22-14-8-7-10(17)9-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)