2-[(4-butanoyloxy-3,5-dimethoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-butanoyloxy-3,5-dimethoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-butanoyloxy-3,5-dimethoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3,5-dimethoxy-4-(1-oxobutoxy)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-butanoyloxy-3,5-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-butyryloxy-3,5-dimethoxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1OC)C(=O)NC(CCSC)C(=O)O)OC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1OC)C(=O)NC(CCSC)C(=O)O)OC

InChI

InChI=1S/C18H25NO7S/c1-5-6-15(20)26-16-13(24-2)9-11(10-14(16)25-3)17(21)19-12(18(22)23)7-8-27-4/h9-10,12H,5-8H2,1-4H3,(H,19,21)(H,22,23)