ethyl 4-[4-cyano-5-[(4-fluorophenyl)amino]-1,2-thiazol-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-cyano-5-[(4-fluorophenyl)amino]-1,2-thiazol-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-cyano-5-(4-fluoroanilino)isothiazol-3-yl]piperazine-1-carboxylate CAS Name: 4-[4-cyano-5-(4-fluoroanilino)-3-isothiazolyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-cyano-5-(4-fluoroanilino)-1,2-thiazol-3-yl]piperazine-1-carboxylate Traditional Name: 4-[4-cyano-5-(4-fluoroanilino)isothiazol-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C17H18FN5O2S MolecularWeight: 375.420523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NSC(=C2C#N)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NSC(=C2C#N)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN5O2S/c1-2-25-17(24)23-9-7-22(8-10-23)15-14(11-19)16(26-21-15)20-13-5-3-12(18)4-6-13/h3-6,20H,2,7-10H2,1H3