2-(2-benzamido-2-oxidanylidene-ethyl)sulfanylpropanoic acid

Systemtic Name: 2-(2-benzamido-2-oxidanylidene-ethyl)sulfanylpropanoic acid Openeye Name: 2-(2-benzamido-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 2-[(2-benzamido-2-oxoethyl)thio]propanoic acid IUPAC Name: 2-(2-benzamido-2-oxoethyl)sulfanylpropanoic acid Traditional Name: 2-[(2-benzamido-2-keto-ethyl)thio]propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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