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

Systemtic Name: 5-sulfanyl-2-(3,4,5-trimethoxyphenyl)carbonylimino-pentanoic acid Openeye Name: 5-sulfanyl-2-(3,4,5-trimethoxybenzoyl)imino-pentanoic acid CAS Name: 5-mercapto-2-[oxo-(3,4,5-trimethoxyphenyl)methyl]iminopentanoic acid IUPAC Name: 5-sulfanyl-2-(3,4,5-trimethoxybenzoyl)iminopentanoic acid Traditional Name: 5-mercapto-2-(3,4,5-trimethoxybenzoyl)imino-valeric acid Formula: C15H19NO6S MolecularWeight: 341.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N=C(CCCS)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)5-4-6-23/h7-8,23H,4-6H2,1-3H3,(H,18,19)