(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-oxoethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(5-acetyl-2-methoxy-benzyl)thio]acetyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H29NO6S MolecularWeight: 471.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CC=CC=C2C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C25H29NO6S/c1-16(27)17-10-11-21(31-5)18(12-17)14-33-15-23(29)26-20-9-7-6-8-19(20)24(30)32-13-22(28)25(2,3)4/h6-12H,13-15H2,1-5H3,(H,26,29)