3-[(5-bromanylthiophen-2-yl)methylamino]benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylamino]benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)methylamino]benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methylamino]benzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methylamino]benzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)methylamino]benzoic acid Formula: C12H10BrNO2S MolecularWeight: 312.1823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NCC2=CC=C(S2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NCC2=CC=C(S2)Br)C(=O)O

InChI

InChI=1S/C12H10BrNO2S/c13-11-5-4-10(17-11)7-14-9-3-1-2-8(6-9)12(15)16/h1-6,14H,7H2,(H,15,16)