ethyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)thiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-(3-fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-2-thiazolyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-fluorophenyl)-5-[2-(methylthio)pyrimidin-4-yl]thiazol-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C22H23FN4O2S2 MolecularWeight: 458.572023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)C2=NC(=C(S2)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H23FN4O2S2/c1-3-29-22(28)27-11-8-14(9-12-27)20-26-18(15-5-4-6-16(23)13-15)19(31-20)17-7-10-24-21(25-17)30-2/h4-7,10,13-14H,3,8-9,11-12H2,1-2H3