4-methylsulfanyl-2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-(3,4,5-trimethoxyphenyl)ethyl]amino]-4-(methylthio)butyric acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CNC(CCSC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CNC(CCSC)C(=O)O

InChI

InChI=1S/C16H23NO6S/c1-21-13-7-10(8-14(22-2)15(13)23-3)12(18)9-17-11(16(19)20)5-6-24-4/h7-8,11,17H,5-6,9H2,1-4H3,(H,19,20)