methyl 5-[[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]amino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]methyl]-2-methoxybenzoate Traditional Name: 5-[[[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]amino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C22H25ClN2O5S/c1-29-19-9-8-14(12-16(19)22(28)30-2)13-24-21(27)18(10-11-31-3)25-20(26)15-6-4-5-7-17(15)23/h4-9,12,18H,10-11,13H2,1-3H3,(H,24,27)(H,25,26)