O2-ethyl O4-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-keto-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C22H27N3O8S MolecularWeight: 493.53008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H27N3O8S/c1-4-32-22(28)20-14(2)19(15(3)23-20)21(27)33-13-18(26)24-16-5-7-17(8-6-16)34(29,30)25-9-11-31-12-10-25/h5-8,23H,4,9-13H2,1-3H3,(H,24,26)