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

Systemtic Name: ethyl 4-[5-methyl-1-(2-methylpropyl)-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-isobutyl-5-methyl-4-(tetrahydrofuran-2-ylmethylcarbamoyl)pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[5-methyl-1-(2-methylpropyl)-4-[oxo-(2-oxolanylmethylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-methyl-1-(2-methylpropyl)-4-(oxolan-2-ylmethylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-isobutyl-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:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC(C)C)C)C(=O)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC(C)C)C)C(=O)NCC3CCCO3

InChI

InChI=1S/C21H29N3O4S/c1-5-27-21(26)20-23-17(12-29-20)18-9-16(14(4)24(18)11-13(2)3)19(25)22-10-15-7-6-8-28-15/h9,12-13,15H,5-8,10-11H2,1-4H3,(H,22,25)