2-azanyl-3-sulfanyl-propanoic acid; 2-ethanoylbenzoic acid

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 2-ethanoylbenzoic acid Openeye Name: 2-acetylbenzoic acid; 2-amino-3-sulfanyl-propanoic acid CAS Name: 2-acetylbenzoic acid; 2-amino-3-mercaptopropanoic acid IUPAC Name: 2-acetylbenzoic acid; 2-amino-3-sulfanylpropanoic acid Traditional Name: 2-acetylbenzoic acid; 2-amino-3-mercapto-propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1C(=O)O.C(C(C(=O)O)N)S

Isomeric SMILES

CC(=O)C1=CC=CC=C1C(=O)O.C(C(C(=O)O)N)S

InChI

InChI=1S/C9H8O3.C3H7NO2S/c1-6(10)7-4-2-3-5-8(7)9(11)12;4-2(1-7)3(5)6/h2-5H,1H3,(H,11,12);2,7H,1,4H2,(H,5,6)