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

Systemtic Name: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(acetylthio)-4-keto-4-(4-methoxyphenyl)butanoyl]amino]-4-(methylthio)butyric acid Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S2/c1-11(20)27-15(17(22)12-4-6-13(25-2)7-5-12)10-16(21)19-14(18(23)24)8-9-26-3/h4-7,14-15H,8-10H2,1-3H3,(H,19,21)(H,23,24)