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

Systemtic Name: ethyl 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-(cyclohexylmethyl)-4-[(2-ethylhexylamino)-oxomethyl]-5-methyl-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methylpyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-(cyclohexylmethyl)-4-(2-ethylhexylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C27H41N3O3S MolecularWeight: 487.69774

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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)CC3CCCCC3)C

Isomeric SMILES

CCCCC(CC)CNC(=O)C1=C(N(C(=C1)C2=CSC(=N2)C(=O)OCC)CC3CCCCC3)C

InChI

InChI=1S/C27H41N3O3S/c1-5-8-12-20(6-2)16-28-25(31)22-15-24(23-18-34-26(29-23)27(32)33-7-3)30(19(22)4)17-21-13-10-9-11-14-21/h15,18,20-21H,5-14,16-17H2,1-4H3,(H,28,31)