2-acetyloxybenzoic acid; 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)butanoic acid

Systemtic Name: 2-acetyloxybenzoic acid; 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)butanoic acid Openeye Name: 2-acetoxybenzoic acid; 2-amino-3-oxo-2-(sulfanylmethyl)butanoic acid CAS Name: 2-acetyloxybenzoic acid; 2-amino-2-(mercaptomethyl)-3-oxobutanoic acid IUPAC Name: 2-acetyloxybenzoic acid; 2-amino-3-oxo-2-(sulfanylmethyl)butanoic acid Traditional Name: 2-acetoxybenzoic acid; 2-amino-3-keto-2-(mercaptomethyl)butyric acid Formula: C14H17NO7S MolecularWeight: 343.35228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CS)(C(=O)O)N.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(=O)C(CS)(C(=O)O)N.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C9H8O4.C5H9NO3S/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-3(7)5(6,2-10)4(8)9/h2-5H,1H3,(H,11,12);10H,2,6H2,1H3,(H,8,9)