ethyl 5-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,2-thiazole-4-carboxylate

Systemtic Name: ethyl 5-[(4-fluorophenyl)amino]-3-(4-methylpiperazin-1-yl)-1,2-thiazole-4-carboxylate Openeye Name: ethyl 5-(4-fluoroanilino)-3-(4-methylpiperazin-1-yl)isothiazole-4-carboxylate CAS Name: 5-(4-fluoroanilino)-3-(4-methyl-1-piperazinyl)-4-isothiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluoroanilino)-3-(4-methylpiperazin-1-yl)-1,2-thiazole-4-carboxylate Traditional Name: 5-(4-fluoroanilino)-3-(4-methylpiperazino)isothiazole-4-carboxylic acid ethyl ester Formula: C17H21FN4O2S MolecularWeight: 364.437643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SN=C1N2CCN(CC2)C)NC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SN=C1N2CCN(CC2)C)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H21FN4O2S/c1-3-24-17(23)14-15(22-10-8-21(2)9-11-22)20-25-16(14)19-13-6-4-12(18)5-7-13/h4-7,19H,3,8-11H2,1-2H3