ethyl 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(allylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(allylcarbamoyl)-5-methyl-1-p-anisyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3=CC=C(C=C3)OC)C)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3=CC=C(C=C3)OC)C)C(=O)NCC=C

InChI

InChI=1S/C23H25N3O4S/c1-5-11-24-21(27)18-12-20(19-14-31-22(25-19)23(28)30-6-2)26(15(18)3)13-16-7-9-17(29-4)10-8-16/h5,7-10,12,14H,1,6,11,13H2,2-4H3,(H,24,27)