4-ethanoylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-ethanoylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-acetylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: 4-(acetylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: 4-(acetylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7S/c1-9(18)25-6-5-11(16(20)21)17-15(19)10-7-12(22-2)14(24-4)13(8-10)23-3/h7-8,11H,5-6H2,1-4H3,(H,17,19)(H,20,21)