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

Systemtic Name: ethyl 4-[1-(cyclohexylmethyl)-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Openeye Name: ethyl 4-[4-(allylcarbamoyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylate CAS Name: 4-[1-(cyclohexylmethyl)-5-methyl-4-[oxo-(prop-2-enylamino)methyl]-2-pyrrolyl]-2-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(cyclohexylmethyl)-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate Traditional Name: 4-[4-(allylcarbamoyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]thiazole-2-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-4-11-23-20(26)17-12-19(18-14-29-21(24-18)22(27)28-5-2)25(15(17)3)13-16-9-7-6-8-10-16/h4,12,14,16H,1,5-11,13H2,2-3H3,(H,23,26)