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

Systemtic Name: 5-propanoylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-pentanoic acid Openeye Name: 5-propanoylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-pentanoic acid CAS Name: 5-(1-oxopropylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminopentanoic acid IUPAC Name: 5-propanoylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminopentanoic acid Traditional Name: 5-(propionylthio)-2-(3,4,5-trimethoxybenzoyl)imino-valeric acid Formula: C18H23NO7S MolecularWeight: 397.44272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)SCCCC(=NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(=O)O

Isomeric SMILES

CCC(=O)SCCCC(=NC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C(=O)O

InChI

InChI=1S/C18H23NO7S/c1-5-15(20)27-8-6-7-12(18(22)23)19-17(21)11-9-13(24-2)16(26-4)14(10-11)25-3/h9-10H,5-8H2,1-4H3,(H,22,23)