methyl 4-[(2-benzamido-4-methylsulfanyl-butanoyl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(2-benzamido-4-methylsulfanyl-butanoyl)oxymethyl]benzoate Openeye Name: methyl 4-[(2-benzamido-4-methylsulfanyl-butanoyl)oxymethyl]benzoate CAS Name: 4-[[2-benzamido-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-benzamido-4-methylsulfanylbutanoyl)oxymethyl]benzoate Traditional Name: 4-[[2-benzamido-4-(methylthio)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-26-20(24)17-10-8-15(9-11-17)14-27-21(25)18(12-13-28-2)22-19(23)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,22,23)