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

Systemtic Name: 3-methyl-3-sulfanyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-3-sulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid CAS Name: 3-mercapto-3-methyl-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-3-sulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid Traditional Name: 3-mercapto-3-methyl-2-[(3,4,5-triethoxybenzoyl)amino]butyric acid Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C(=O)O)C(C)(C)S

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(C(=O)O)C(C)(C)S

InChI

InChI=1S/C18H27NO6S/c1-6-23-12-9-11(10-13(24-7-2)14(12)25-8-3)16(20)19-15(17(21)22)18(4,5)26/h9-10,15,26H,6-8H2,1-5H3,(H,19,20)(H,21,22)