[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-morpholinosulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-(4-morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-morpholinosulfonyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C18H20N2O6S2 MolecularWeight: 424.4912

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H20N2O6S2/c1-27-14-4-2-13(3-5-14)17(21)12-26-18(22)16-10-15(11-19-16)28(23,24)20-6-8-25-9-7-20/h2-5,10-11,19H,6-9,12H2,1H3