ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C14H13ClFN3O2S2 MolecularWeight: 373.853323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C

InChI

InChI=1S/C14H13ClFN3O2S2/c1-3-21-12(20)11-7(2)17-14(23-11)19-13(22)18-8-4-5-10(16)9(15)6-8/h4-6H,3H2,1-2H3,(H2,17,18,19,22)