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

Systemtic Name: 5-methylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-pentanoic acid Openeye Name: 5-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-pentanoic acid CAS Name: 5-(methylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminopentanoic acid IUPAC Name: 5-methylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminopentanoic acid Traditional Name: 5-(methylthio)-2-(3,4,5-trimethoxybenzoyl)imino-valeric acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO6S/c1-21-12-8-10(9-13(22-2)14(12)23-3)15(18)17-11(16(19)20)6-5-7-24-4/h8-9H,5-7H2,1-4H3,(H,19,20)