2-benzamido-3-oxidanylidene-2-(sulfanylmethyl)butanoic acid

Systemtic Name: 2-benzamido-3-oxidanylidene-2-(sulfanylmethyl)butanoic acid Openeye Name: 2-benzamido-3-oxo-2-(sulfanylmethyl)butanoic acid CAS Name: 2-benzamido-2-(mercaptomethyl)-3-oxobutanoic acid IUPAC Name: 2-benzamido-3-oxo-2-(sulfanylmethyl)butanoic acid Traditional Name: 2-benzamido-3-keto-2-(mercaptomethyl)butyric acid Formula: C12H13NO4S MolecularWeight: 267.30092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c1-8(14)12(7-18,11(16)17)13-10(15)9-5-3-2-4-6-9/h2-6,18H,7H2,1H3,(H,13,15)(H,16,17)