methyl 4-[1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[4-hydroxy-1-(5-methyl-3-isoxazolyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[4-hydroxy-5-keto-1-(5-methylisoxazol-3-yl)-3-(2-thenoyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NO1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H16N2O6S/c1-11-10-15(22-29-11)23-17(12-5-7-13(8-6-12)21(27)28-2)16(19(25)20(23)26)18(24)14-4-3-9-30-14/h3-10,17,25H,1-2H3