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

Systemtic Name: 4-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-butanoic acid Openeye Name: 4-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-butanoic acid CAS Name: 4-(methylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminobutanoic acid IUPAC Name: 4-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminobutanoic acid Traditional Name: 4-(methylthio)-2-(3,4,5-trimethoxybenzoyl)imino-butyric acid Formula: C15H19NO6S MolecularWeight: 341.37946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO6S/c1-20-11-7-9(8-12(21-2)13(11)22-3)14(17)16-10(15(18)19)5-6-23-4/h7-8H,5-6H2,1-4H3,(H,18,19)