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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CCCC)C

Isomeric SMILES

CCCCNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CCCC)C

InChI

InChI=1S/C20H29N3O3S/c1-5-8-10-21-18(24)15-12-17(23(14(15)4)11-9-6-2)16-13-27-19(22-16)20(25)26-7-3/h12-13H,5-11H2,1-4H3,(H,21,24)