ethyl 4-methyl-2-[2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-hydroxy-2-(3-isopentyloxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[4-hydroxy-2-(3-isoamoxyphenyl)-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H28N2O6S2 MolecularWeight: 540.65102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OCCC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)C3=CC=CS3)C4=CC(=CC=C4)OCCC(C)C)C

InChI

InChI=1S/C27H28N2O6S2/c1-5-34-26(33)24-16(4)28-27(37-24)29-21(17-8-6-9-18(14-17)35-12-11-15(2)3)20(23(31)25(29)32)22(30)19-10-7-13-36-19/h6-10,13-15,21,31H,5,11-12H2,1-4H3