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

Systemtic Name: 4-[1-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[1-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[1-[(4-methoxyphenyl)methyl]-4-[(3-methoxypropylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[1-[(4-methoxyphenyl)methyl]-4-(3-methoxypropylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(3-methoxypropylcarbamoyl)-5-methyl-1-p-anisyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C22H25N3O5S MolecularWeight: 443.516

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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)NCCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5S/c1-14-17(20(26)23-9-4-10-29-2)11-19(18-13-31-21(24-18)22(27)28)25(14)12-15-5-7-16(30-3)8-6-15/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,23,26)(H,27,28)