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

Systemtic Name: methyl 4-[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]oxymethyl]benzoic acid methyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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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=C2Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H22ClNO5S/c1-27-20(25)15-9-7-14(8-10-15)13-28-21(26)18(11-12-29-2)23-19(24)16-5-3-4-6-17(16)22/h3-10,18H,11-13H2,1-2H3,(H,23,24)