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

Systemtic Name: 4-methylsulfanyl-2-[(3,4,5-triethoxyphenyl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(3,4,5-triethoxybenzoyl)amino]butanoic acid Traditional Name: 4-(methylthio)-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(CCSC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S/c1-5-23-14-10-12(11-15(24-6-2)16(14)25-7-3)17(20)19-13(18(21)22)8-9-26-4/h10-11,13H,5-9H2,1-4H3,(H,19,20)(H,21,22)