2-(1-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 2-(1-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 2-(1-acetamidoethylsulfanylmethyl)-4-oxo-4-phenyl-butanoic acid CAS Name: 2-[(1-acetamidoethylthio)methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 2-(1-acetamidoethylsulfanylmethyl)-4-oxo-4-phenylbutanoic acid Traditional Name: 2-[(1-acetamidoethylthio)methyl]-4-keto-4-phenyl-butyric acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4S/c1-10(17)16-11(2)21-9-13(15(19)20)8-14(18)12-6-4-3-5-7-12/h3-7,11,13H,8-9H2,1-2H3,(H,16,17)(H,19,20)