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

Systemtic Name: ethyl 2-[2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-ethoxy-4-isopentyloxy-phenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(3-ethoxy-4-isoamoxy-phenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C29H32N2O7S2 MolecularWeight: 584.70358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C4=CC=CS4)OCCC(C)C

InChI

InChI=1S/C29H32N2O7S2/c1-6-36-20-15-18(10-11-19(20)38-13-12-16(3)4)23-22(24(32)21-9-8-14-39-21)25(33)27(34)31(23)29-30-17(5)26(40-29)28(35)37-7-2/h8-11,14-16,23,33H,6-7,12-13H2,1-5H3