methyl 4-[(2R)-1-(3-morpholin-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[(2R)-1-(3-morpholin-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[(2R)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[(2R)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[(2R)-4-hydroxy-5-keto-1-(3-morpholinopropyl)-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C24H26N2O6S MolecularWeight: 470.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C24H26N2O6S/c1-31-24(30)17-7-5-16(6-8-17)20-19(21(27)18-4-2-15-33-18)22(28)23(29)26(20)10-3-9-25-11-13-32-14-12-25/h2,4-8,15,20,28H,3,9-14H2,1H3/t20-/m1/s1