2-[1-[(3,4,5-trimethoxyphenyl)carbonylamino]ethylsulfanyl]ethanoic acid

Systemtic Name: 2-[1-[(3,4,5-trimethoxyphenyl)carbonylamino]ethylsulfanyl]ethanoic acid Openeye Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]ethylsulfanyl]acetic acid CAS Name: 2-[1-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethylthio]acetic acid IUPAC Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]ethylsulfanyl]acetic acid Traditional Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]ethylthio]acetic acid Formula: C14H19NO6S MolecularWeight: 329.36876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO6S/c1-8(22-7-12(16)17)15-14(18)9-5-10(19-2)13(21-4)11(6-9)20-3/h5-6,8H,7H2,1-4H3,(H,15,18)(H,16,17)