ethyl 2-[(3-cyanophenyl)carbonyl-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-cyanophenyl)carbonyl-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-cyanobenzoyl)-[(4-fluorophenyl)methyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-cyanophenyl)-oxomethyl]-[(4-fluorophenyl)methyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyanobenzoyl)-[(4-fluorophenyl)methyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-cyanobenzoyl)-(4-fluorobenzyl)amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H18FN3O3S MolecularWeight: 423.460023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(CC2=CC=C(C=C2)F)C(=O)C3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C22H18FN3O3S/c1-3-29-21(28)19-14(2)25-22(30-19)26(13-15-7-9-18(23)10-8-15)20(27)17-6-4-5-16(11-17)12-24/h4-11H,3,13H2,1-2H3