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

Systemtic Name: ethyl 4-[1-butyl-5-methyl-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-butyl-5-methyl-4-(tetrahydrofuran-2-ylmethylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-butyl-5-methyl-4-[oxo-(2-oxolanylmethylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-butyl-5-methyl-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-butyl-5-methyl-4-(tetrahydrofurfurylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC3CCCO3)C

Isomeric SMILES

CCCCN1C(=C(C=C1C2=CSC(=N2)C(=O)OCC)C(=O)NCC3CCCO3)C

InChI

InChI=1S/C21H29N3O4S/c1-4-6-9-24-14(3)16(19(25)22-12-15-8-7-10-28-15)11-18(24)17-13-29-20(23-17)21(26)27-5-2/h11,13,15H,4-10,12H2,1-3H3,(H,22,25)