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

Systemtic Name: 4-[4-(butylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[4-(butylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid CAS Name: 4-[4-[butylamino(oxo)methyl]-1-(3-methoxypropyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[4-(butylcarbamoyl)-1-(3-methoxypropyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[4-(butylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CCCOC)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)O)CCCOC)C

InChI

InChI=1S/C18H25N3O4S/c1-4-5-7-19-16(22)13-10-15(14-11-26-17(20-14)18(23)24)21(12(13)2)8-6-9-25-3/h10-11H,4-9H2,1-3H3,(H,19,22)(H,23,24)