ethyl 2-[cyclopropyl-(4-nitrophenyl)carbonyl-amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[cyclopropyl-(4-nitrophenyl)carbonyl-amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[cyclopropyl-(4-nitrobenzoyl)amino]-4-(trifluoromethyl)thiazole-5-carboxylate CAS Name: 2-[cyclopropyl-[(4-nitrophenyl)-oxomethyl]amino]-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[cyclopropyl-(4-nitrobenzoyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[cyclopropyl-(4-nitrobenzoyl)amino]-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester Formula: C17H14F3N3O5S MolecularWeight: 429.37037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)N(C2CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)N(C2CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C17H14F3N3O5S/c1-2-28-15(25)12-13(17(18,19)20)21-16(29-12)22(10-7-8-10)14(24)9-3-5-11(6-4-9)23(26)27/h3-6,10H,2,7-8H2,1H3