2-[(4-bromophenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-bromophenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-bromophenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(4-bromophenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-bromobenzyl)amino]-3-mercapto-propionic acid Formula: C10H12BrNO2S MolecularWeight: 290.17678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CS)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CNC(CS)C(=O)O)Br

InChI

InChI=1S/C10H12BrNO2S/c11-8-3-1-7(2-4-8)5-12-9(6-15)10(13)14/h1-4,9,12,15H,5-6H2,(H,13,14)