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

Systemtic Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(allylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(allylcarbamoyl)-5-methyl-1-p-anisyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C(=O)O)C(=O)NCC=C

Isomeric SMILES

CC1=C(C=C(N1CC2=CC=C(C=C2)OC)C3=CSC(=N3)C(=O)O)C(=O)NCC=C

InChI

InChI=1S/C21H21N3O4S/c1-4-9-22-19(25)16-10-18(17-12-29-20(23-17)21(26)27)24(13(16)2)11-14-5-7-15(28-3)8-6-14/h4-8,10,12H,1,9,11H2,2-3H3,(H,22,25)(H,26,27)