ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(cyclohexylmethylamino)-oxomethyl]-1-(3-methoxypropyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(cyclohexylmethylcarbamoyl)-1-(3-methoxypropyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCCOC)C)C(=O)NCC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CCCOC)C)C(=O)NCC3CCCCC3

InChI

InChI=1S/C23H33N3O4S/c1-4-30-23(28)22-25-19(15-31-22)20-13-18(16(2)26(20)11-8-12-29-3)21(27)24-14-17-9-6-5-7-10-17/h13,15,17H,4-12,14H2,1-3H3,(H,24,27)