3-(2-azanyl-3-sulfanyl-propyl)benzoic acid

Systemtic Name: 3-(2-azanyl-3-sulfanyl-propyl)benzoic acid Openeye Name: 3-(2-amino-3-sulfanyl-propyl)benzoic acid CAS Name: 3-(2-amino-3-mercaptopropyl)benzoic acid IUPAC Name: 3-(2-amino-3-sulfanylpropyl)benzoic acid Traditional Name: 3-(2-amino-3-mercapto-propyl)benzoic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CS)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CS)N)C(=O)O

InChI

InChI=1S/C10H13NO2S/c11-9(6-14)5-7-2-1-3-8(4-7)10(12)13/h1-4,9,14H,5-6,11H2,(H,12,13)