2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(3-acetylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(3-acetylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(3-acetylanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)NC1=CC=CC(=C1)C(=O)C

Isomeric SMILES

CC(C(=O)O)SCC(=O)NC1=CC=CC(=C1)C(=O)C

InChI

InChI=1S/C13H15NO4S/c1-8(15)10-4-3-5-11(6-10)14-12(16)7-19-9(2)13(17)18/h3-6,9H,7H2,1-2H3,(H,14,16)(H,17,18)