ethyl 5-[2-phenyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[2-phenyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate Openeye Name: ethyl 5-[2-phenyl-4-(pyrrolidin-1-ylmethyl)thiazol-5-yl]-1H-pyrazole-3-carboxylate CAS Name: 5-[2-phenyl-4-(1-pyrrolidinylmethyl)-5-thiazolyl]-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-phenyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxylate Traditional Name: 5-[2-phenyl-4-(pyrrolidinomethyl)thiazol-5-yl]-1H-pyrazole-3-carboxylic acid ethyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)CN4CCCC4

Isomeric SMILES

CCOC(=O)C1=NNC(=C1)C2=C(N=C(S2)C3=CC=CC=C3)CN4CCCC4

InChI

InChI=1S/C20H22N4O2S/c1-2-26-20(25)16-12-15(22-23-16)18-17(13-24-10-6-7-11-24)21-19(27-18)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H,22,23)