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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-3-methylsulfanyl-propanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(methylthio)propanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylsulfanylpropanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-3-(methylthio)propionic acid Formula: C17H21NO6S2 MolecularWeight: 399.48174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO6S2/c1-10(19)26-14(8-15(20)18-13(9-25-3)17(22)23)16(21)11-4-6-12(24-2)7-5-11/h4-7,13-14H,8-9H2,1-3H3,(H,18,20)(H,22,23)