methyl 4-[1-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[1-(5-ethanoyl-4-methyl-1,3-thiazol-2-yl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[1-(5-acetyl-4-methyl-thiazol-2-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate CAS Name: 4-[1-(5-acetyl-4-methyl-2-thiazolyl)-4-hydroxy-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[1-(5-acetyl-4-methyl-thiazol-2-yl)-4-hydroxy-5-keto-3-[(E)-3-phenylacryloyl]-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C(=O)C

Isomeric SMILES

CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC)C(=O)C

InChI

InChI=1S/C27H22N2O6S/c1-15-24(16(2)30)36-27(28-15)29-22(18-10-12-19(13-11-18)26(34)35-3)21(23(32)25(29)33)20(31)14-9-17-7-5-4-6-8-17/h4-14,22,32H,1-3H3/b14-9+