ethyl 5-methyl-2-[phenethyl(pyridin-4-ylcarbonyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-2-[phenethyl(pyridin-4-ylcarbonyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 5-methyl-2-[phenethyl(pyridine-4-carbonyl)amino]thiazole-4-carboxylate CAS Name: 5-methyl-2-[[oxo(pyridin-4-yl)methyl]-phenethylamino]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[phenethyl(pyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate Traditional Name: 2-[isonicotinoyl(phenethyl)amino]-5-methyl-thiazole-4-carboxylic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=N1)N(CCC2=CC=CC=C2)C(=O)C3=CC=NC=C3)C

InChI

InChI=1S/C21H21N3O3S/c1-3-27-20(26)18-15(2)28-21(23-18)24(14-11-16-7-5-4-6-8-16)19(25)17-9-12-22-13-10-17/h4-10,12-13H,3,11,14H2,1-2H3