(3-morpholin-4-ylsulfonylphenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CS3)N4C=CC=C4

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CS3)N4C=CC=C4

InChI

InChI=1S/C20H20N2O5S2/c23-20(19-18(6-13-28-19)21-7-1-2-8-21)27-15-16-4-3-5-17(14-16)29(24,25)22-9-11-26-12-10-22/h1-8,13-14H,9-12,15H2