2-azanyl-4-sulfanyl-butanoic acid; 2-ethanoylbenzoic acid

Systemtic Name: 2-azanyl-4-sulfanyl-butanoic acid; 2-ethanoylbenzoic acid Openeye Name: 2-acetylbenzoic acid; 2-amino-4-sulfanyl-butanoic acid CAS Name: 2-acetylbenzoic acid; 2-amino-4-mercaptobutanoic acid IUPAC Name: 2-acetylbenzoic acid; 2-amino-4-sulfanylbutanoic acid Traditional Name: 2-acetylbenzoic acid; 2-amino-4-mercapto-butyric acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3.C4H9NO2S/c1-6(10)7-4-2-3-5-8(7)9(11)12;5-3(1-2-8)4(6)7/h2-5H,1H3,(H,11,12);3,8H,1-2,5H2,(H,6,7)