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

Systemtic Name: 3-(2-acetamidoethylsulfanylmethyl)-4-(4-methoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 3-(2-acetamidoethylsulfanylmethyl)-4-(4-methoxyphenyl)-4-oxo-butanoic acid CAS Name: 3-[(2-acetamidoethylthio)methyl]-4-(4-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 3-(2-acetamidoethylsulfanylmethyl)-4-(4-methoxyphenyl)-4-oxobutanoic acid Traditional Name: 3-[(2-acetamidoethylthio)methyl]-4-keto-4-(4-methoxyphenyl)butyric acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-11(18)17-7-8-23-10-13(9-15(19)20)16(21)12-3-5-14(22-2)6-4-12/h3-6,13H,7-10H2,1-2H3,(H,17,18)(H,19,20)