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

Systemtic Name: 2-[1-[(3,4,5-trimethoxyphenyl)carbonylamino]butylsulfanyl]ethanoic acid Openeye Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]butylsulfanyl]acetic acid CAS Name: 2-[1-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butylthio]acetic acid IUPAC Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]butylsulfanyl]acetic acid Traditional Name: 2-[1-[(3,4,5-trimethoxybenzoyl)amino]butylthio]acetic acid Formula: C16H23NO6S MolecularWeight: 357.42192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO6S/c1-5-6-13(24-9-14(18)19)17-16(20)10-7-11(21-2)15(23-4)12(8-10)22-3/h7-8,13H,5-6,9H2,1-4H3,(H,17,20)(H,18,19)