methyl 5-[2-(2-benzamido-4-methylsulfanyl-butanoyl)oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(2-benzamido-4-methylsulfanyl-butanoyl)oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(2-benzamido-4-methylsulfanyl-butanoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[2-benzamido-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-benzamido-4-methylsulfanylbutanoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[2-benzamido-4-(methylthio)butanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6S/c1-13-18(22(28)29-3)14(2)23-19(13)17(25)12-30-21(27)16(10-11-31-4)24-20(26)15-8-6-5-7-9-15/h5-9,16,23H,10-12H2,1-4H3,(H,24,26)