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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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