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

Systemtic Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(2-methylpropylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(isobutylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-[(2-methylpropylamino)-oxomethyl]-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(2-methylpropylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(isobutylcarbamoyl)-5-methyl-1-p-anisyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-13(2)10-23-20(26)17-9-19(18-12-30-21(24-18)22(27)28)25(14(17)3)11-15-5-7-16(29-4)8-6-15/h5-9,12-13H,10-11H2,1-4H3,(H,23,26)(H,27,28)