2-methylpropyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate

Systemtic Name: 2-methylpropyl 4-methylsulfanyl-2-[(3,4,5-trimethoxyphenyl)carbonylamino]butanoate Openeye Name: isobutyl 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methylsulfanyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3,4,5-trimethoxybenzoyl)amino]butyric acid isobutyl ester Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CC(C)COC(=O)C(CCSC)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C19H29NO6S/c1-12(2)11-26-19(22)14(7-8-27-6)20-18(21)13-9-15(23-3)17(25-5)16(10-13)24-4/h9-10,12,14H,7-8,11H2,1-6H3,(H,20,21)