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

Systemtic Name: 4-ethylsulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-butanoic acid Openeye Name: 4-ethylsulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-butanoic acid CAS Name: 4-(ethylthio)-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminobutanoic acid IUPAC Name: 4-ethylsulfanyl-2-(3,4,5-trimethoxybenzoyl)iminobutanoic acid Traditional Name: 4-(ethylthio)-2-(3,4,5-trimethoxybenzoyl)imino-butyric acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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