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

Systemtic Name: 4-[4-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[butylamino(oxo)methyl]-1-[(4-methoxyphenyl)methyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(butylcarbamoyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(butylcarbamoyl)-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:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H25N3O4S/c1-4-5-10-23-20(26)17-11-19(18-13-30-21(24-18)22(27)28)25(14(17)2)12-15-6-8-16(29-3)9-7-15/h6-9,11,13H,4-5,10,12H2,1-3H3,(H,23,26)(H,27,28)