ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(furan-2-ylmethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate

Systemtic Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(furan-2-ylmethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(2-furylmethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-1-(2-furanylmethyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(furan-2-ylmethyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(2-furfuryl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=CO3)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3=CC=CO3)C

InChI

InChI=1S/C25H33N3O4S/c1-5-8-10-18(6-2)14-26-23(29)20-13-22(21-16-33-24(27-21)25(30)31-7-3)28(17(20)4)15-19-11-9-12-32-19/h9,11-13,16,18H,5-8,10,14-15H2,1-4H3,(H,26,29)