ethyl 2-[2-(4-butoxy-3-methoxy-phenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(4-butoxy-3-methoxy-phenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(4-butoxy-3-methoxy-phenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-butoxy-3-methoxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-butoxy-3-methoxy-phenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C31H32N2O7S MolecularWeight: 576.65998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)C=CC4=CC=CC=C4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OCC)C)O)C(=O)/C=C/C4=CC=CC=C4)OC

InChI

InChI=1S/C31H32N2O7S/c1-5-7-17-40-23-16-14-21(18-24(23)38-4)26-25(22(34)15-13-20-11-9-8-10-12-20)27(35)29(36)33(26)31-32-19(3)28(41-31)30(37)39-6-2/h8-16,18,26,35H,5-7,17H2,1-4H3/b15-13+