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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-3-methyl-butyric acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S/c1-10(2)16(18(23)24)19-15(21)9-14(26-11(3)20)17(22)12-5-7-13(25-4)8-6-12/h5-8,10,14,16H,9H2,1-4H3,(H,19,21)(H,23,24)