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

Systemtic Name: 3-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(3-acetylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(3-acetylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(3-acetylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[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(=O)C1=CC(=CC=C1)NC(=O)CSCCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4S/c1-9(15)10-3-2-4-11(7-10)14-12(16)8-19-6-5-13(17)18/h2-4,7H,5-6,8H2,1H3,(H,14,16)(H,17,18)