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

Systemtic Name: 2-[(3,5-dimethoxy-4-propanoyloxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3,5-dimethoxy-4-propanoyloxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3,5-dimethoxy-4-(1-oxopropoxy)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3,5-dimethoxy-4-propanoyloxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3,5-dimethoxy-4-propionyloxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C17H23NO7S MolecularWeight: 385.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO7S/c1-5-14(19)25-15-12(23-2)8-10(9-13(15)24-3)16(20)18-11(17(21)22)6-7-26-4/h8-9,11H,5-7H2,1-4H3,(H,18,20)(H,21,22)