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

Systemtic Name: methyl 4-methyl-2-[2-(3-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-1-yl]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-hydroxy-2-(3-nitrophenyl)-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[3-hydroxy-2-keto-5-(3-nitrophenyl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-1-yl]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C25H19N3O7S MolecularWeight: 505.49926

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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(=CC=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C25H19N3O7S/c1-14-22(24(32)35-2)36-25(26-14)27-20(16-9-6-10-17(13-16)28(33)34)19(21(30)23(27)31)18(29)12-11-15-7-4-3-5-8-15/h3-13,20,30H,1-2H3/b12-11+