6-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-hexanoic acid

Systemtic Name: 6-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-hexanoic acid Openeye Name: 6-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-hexanoic acid CAS Name: 6-(methylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminohexanoic acid IUPAC Name: 6-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminohexanoic acid Traditional Name: 6-(methylthio)-2-(3,4,5-trimethoxybenzoyl)imino-hexanoic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N=C(CCCCSC)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C(CCCCSC)C(=O)O

InChI

InChI=1S/C17H23NO6S/c1-22-13-9-11(10-14(23-2)15(13)24-3)16(19)18-12(17(20)21)7-5-6-8-25-4/h9-10H,5-8H2,1-4H3,(H,20,21)