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

Systemtic Name: 2-[(4-acetyloxy-3,5-dimethoxy-phenyl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(4-acetoxy-3,5-dimethoxy-benzoyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(4-acetyloxy-3,5-dimethoxyphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(4-acetyloxy-3,5-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(4-acetoxy-3,5-dimethoxy-benzoyl)amino]-4-(methylthio)butyric acid Formula: C16H21NO7S MolecularWeight: 371.40544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7S/c1-9(18)24-14-12(22-2)7-10(8-13(14)23-3)15(19)17-11(16(20)21)5-6-25-4/h7-8,11H,5-6H2,1-4H3,(H,17,19)(H,20,21)