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

Systemtic Name: methyl 4-methyl-2-[4-oxidanyl-5-oxidanylidene-2-(4-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[4-hydroxy-5-oxo-2-(4-pentoxyphenyl)-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-(4-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-hydroxy-5-oxo-2-(4-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(4-amoxyphenyl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C30H30N2O6S MolecularWeight: 546.634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC(=C(S3)C(=O)OC)C)O)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O6S/c1-4-5-9-18-38-22-15-13-21(14-16-22)25-24(23(33)17-12-20-10-7-6-8-11-20)26(34)28(35)32(25)30-31-19(2)27(39-30)29(36)37-3/h6-8,10-17,25,34H,4-5,9,18H2,1-3H3/b17-12+