3-(2-benzamido-2-oxidanylidene-ethyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-benzamido-2-oxidanylidene-ethyl)sulfanylpropanoic acid Openeye Name: 3-(2-benzamido-2-oxo-ethyl)sulfanylpropanoic acid CAS Name: 3-[(2-benzamido-2-oxoethyl)thio]propanoic acid IUPAC Name: 3-(2-benzamido-2-oxoethyl)sulfanylpropanoic acid Traditional Name: 3-[(2-benzamido-2-keto-ethyl)thio]propionic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4S/c14-10(8-18-7-6-11(15)16)13-12(17)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,15,16)(H,13,14,17)