5-[(4-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[(4-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[(4-bromo-2-thienyl)methylamino]-2-chloro-benzoic acid CAS Name: 5-[(4-bromo-2-thiophenyl)methylamino]-2-chlorobenzoic acid IUPAC Name: 5-[(4-bromothiophen-2-yl)methylamino]-2-chlorobenzoic acid Traditional Name: 5-[(4-bromo-2-thienyl)methylamino]-2-chloro-benzoic acid Formula: C12H9BrClNO2S MolecularWeight: 346.62736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=CC(=CS2)Br)C(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1NCC2=CC(=CS2)Br)C(=O)O)Cl

InChI

InChI=1S/C12H9BrClNO2S/c13-7-3-9(18-6-7)5-15-8-1-2-11(14)10(4-8)12(16)17/h1-4,6,15H,5H2,(H,16,17)