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

Systemtic Name: 3-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-propanoic acid Openeye Name: 3-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-propanoic acid CAS Name: 3-(methylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminopropanoic acid IUPAC Name: 3-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminopropanoic acid Traditional Name: 3-(methylthio)-2-(3,4,5-trimethoxybenzoyl)imino-propionic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO6S/c1-19-10-5-8(6-11(20-2)12(10)21-3)13(16)15-9(7-22-4)14(17)18/h5-6H,7H2,1-4H3,(H,17,18)