methyl 4-(4-oxidanyl-5-oxidanylidene-1-phenethyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanyl-5-oxidanylidene-1-phenethyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl)benzoate Openeye Name: methyl 4-[4-hydroxy-5-oxo-1-phenethyl-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-phenethyl-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-5-oxo-1-phenethyl-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-phenethyl-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H21NO5S/c1-31-25(30)18-11-9-17(10-12-18)21-20(22(27)19-8-5-15-32-19)23(28)24(29)26(21)14-13-16-6-3-2-4-7-16/h2-12,15,21,28H,13-14H2,1H3