(5-ethanoyl-2-ethoxy-phenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C23H27NO5S MolecularWeight: 429.52918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO5S/c1-4-28-21-11-10-18(16(2)25)14-19(21)15-29-23(27)20(12-13-30-3)24-22(26)17-8-6-5-7-9-17/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,24,26)