methyl 4-methyl-2-[4-oxidanyl-5-oxidanylidene-2-(3-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-(3-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-(3-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-(3-pentoxyphenyl)-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-hydroxy-5-oxo-2-(3-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-(3-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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=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=CC(=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/c1-4-5-9-17-38-22-14-10-13-21(18-22)25-24(23(33)16-15-20-11-7-6-8-12-20)26(34)28(35)32(25)30-31-19(2)27(39-30)29(36)37-3/h6-8,10-16,18,25,34H,4-5,9,17H2,1-3H3/b16-15+