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

Systemtic Name: 3-methyl-3-sulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-3-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-3-sulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid Traditional Name: 3-mercapto-3-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO6S/c1-15(2,23)12(14(18)19)16-13(17)8-6-9(20-3)11(22-5)10(7-8)21-4/h6-7,12,23H,1-5H3,(H,16,17)(H,18,19)