ethyl 4-[4-(butan-2-ylcarbamoyl)-1-butyl-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-butyl-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-butyl-5-methyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(butan-2-ylamino)-oxomethyl]-1-butyl-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(butan-2-ylcarbamoyl)-1-butyl-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-butyl-5-methyl-4-(sec-butylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NC(C)CC)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NC(C)CC)C

InChI

InChI=1S/C20H29N3O3S/c1-6-9-10-23-14(5)15(18(24)21-13(4)7-2)11-17(23)16-12-27-19(22-16)20(25)26-8-3/h11-13H,6-10H2,1-5H3,(H,21,24)