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

Systemtic Name: ethyl 4-[1-(cyclohexylmethyl)-5-methyl-4-(2-methylpropylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[1-(cyclohexylmethyl)-4-(isobutylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-(cyclohexylmethyl)-5-methyl-4-[(2-methylpropylamino)-oxomethyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(cyclohexylmethyl)-5-methyl-4-(2-methylpropylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[1-(cyclohexylmethyl)-4-(isobutylcarbamoyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3CCCCC3)C)C(=O)NCC(C)C

Isomeric SMILES

CCOC(=O)C1=NC(=CS1)C2=CC(=C(N2CC3CCCCC3)C)C(=O)NCC(C)C

InChI

InChI=1S/C23H33N3O3S/c1-5-29-23(28)22-25-19(14-30-22)20-11-18(21(27)24-12-15(2)3)16(4)26(20)13-17-9-7-6-8-10-17/h11,14-15,17H,5-10,12-13H2,1-4H3,(H,24,27)