2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]-methyl-amino]acetic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]-methylamino]acetic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]-methylamino]acetic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]-methyl-amino]acetic acid Formula: C16H19NO6S MolecularWeight: 353.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C16H19NO6S/c1-10(18)24-13(8-14(19)17(2)9-15(20)21)16(22)11-4-6-12(23-3)7-5-11/h4-7,13H,8-9H2,1-3H3,(H,20,21)