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

Systemtic Name: ethyl 4-[2-(2-benzamido-4-methylsulfanyl-butanoyl)oxyethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(2-benzamido-4-methylsulfanyl-butanoyl)oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[2-benzamido-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-benzamido-4-methylsulfanylbutanoyl)oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[2-benzamido-4-(methylthio)butanoyl]oxyacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C23H28N2O6S/c1-5-30-23(29)20-14(2)19(15(3)24-20)18(26)13-31-22(28)17(11-12-32-4)25-21(27)16-9-7-6-8-10-16/h6-10,17,24H,5,11-13H2,1-4H3,(H,25,27)