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

Systemtic Name: 4-ethanoylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-butanoic acid Openeye Name: 4-acetylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-butanoic acid CAS Name: 4-(acetylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminobutanoic acid IUPAC Name: 4-acetylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminobutanoic acid Traditional Name: 4-(acetylthio)-2-(3,4,5-trimethoxybenzoyl)imino-butyric acid Formula: C16H19NO7S MolecularWeight: 369.38956

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(=O)O

InChI

InChI=1S/C16H19NO7S/c1-9(18)25-6-5-11(16(20)21)17-15(19)10-7-12(22-2)14(24-4)13(8-10)23-3/h7-8H,5-6H2,1-4H3,(H,20,21)