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

Systemtic Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[4-[(2-ethylhexylamino)-oxomethyl]-1-(2-methoxyethyl)-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-ethylhexylcarbamoyl)-1-(2-methoxyethyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(2-ethylhexylcarbamoyl)-1-(2-methoxyethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H35N3O4S MolecularWeight: 449.6067

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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)CCOC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H35N3O4S/c1-6-9-10-17(7-2)14-24-21(27)18-13-20(26(16(18)4)11-12-29-5)19-15-31-22(25-19)23(28)30-8-3/h13,15,17H,6-12,14H2,1-5H3,(H,24,27)