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

Systemtic Name: O2-ethyl O4-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)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-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: 2-O-ethyl 4-O-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 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-pyrrolidinosulfonylphenyl)ethyl] ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C22H26N2O7S/c1-4-30-22(27)20-14(2)19(15(3)23-20)21(26)31-13-18(25)16-7-9-17(10-8-16)32(28,29)24-11-5-6-12-24/h7-10,23H,4-6,11-13H2,1-3H3