prop-2-enyl 4-methyl-2-[4-oxidanyl-5-oxidanylidene-2-(3-pentoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-2-[4-oxidanyl-5-oxidanylidene-2-(3-pentoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: allyl 2-[4-hydroxy-5-oxo-2-(3-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(3-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[4-hydroxy-5-oxo-2-(3-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(3-amoxyphenyl)-4-hydroxy-5-keto-3-(2-thenoyl)-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid allyl ester Formula: C28H28N2O6S2 MolecularWeight: 552.66172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC=C)C)O)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC=C)C)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H28N2O6S2/c1-4-6-7-14-35-19-11-8-10-18(16-19)22-21(23(31)20-12-9-15-37-20)24(32)26(33)30(22)28-29-17(3)25(38-28)27(34)36-13-5-2/h5,8-12,15-16,22,32H,2,4,6-7,13-14H2,1,3H3