3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-phenyl-butanoic acid

Systemtic Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxidanylidene-4-phenyl-butanoic acid Openeye Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-phenyl-butanoic acid CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-oxo-4-phenylbutanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanylmethyl)-4-oxo-4-phenylbutanoic acid Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-phenyl-butyric acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSCC(CC(=O)O)C(=O)C1=CC=CC=C1

Isomeric SMILES

CC(=O)NCCSCC(CC(=O)O)C(=O)C1=CC=CC=C1

InChI

InChI=1S/C15H19NO4S/c1-11(17)16-7-8-21-10-13(9-14(18)19)15(20)12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,17)(H,18,19)