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

Systemtic Name: ethyl 4-methyl-2-[4-oxidanyl-5-oxidanylidene-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(3-benzyloxyphenyl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(3-phenylmethoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-hydroxy-5-oxo-2-(3-phenylmethoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(3-benzoxyphenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C33H28N2O6S MolecularWeight: 580.65022

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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)C=CC3=CC=CC=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C33H28N2O6S/c1-3-40-32(39)30-21(2)34-33(42-30)35-28(24-15-10-16-25(19-24)41-20-23-13-8-5-9-14-23)27(29(37)31(35)38)26(36)18-17-22-11-6-4-7-12-22/h4-19,28,37H,3,20H2,1-2H3/b18-17+