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

Systemtic Name: prop-2-enyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: allyl 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 prop-2-enyl ester IUPAC Name: prop-2-enyl 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 allyl ester Formula: C15H13ClFN3O2S2 MolecularWeight: 385.864023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC2=CC(=C(C=C2)F)Cl)C(=O)OCC=C

InChI

InChI=1S/C15H13ClFN3O2S2/c1-3-6-22-13(21)12-8(2)18-15(24-12)20-14(23)19-9-4-5-11(17)10(16)7-9/h3-5,7H,1,6H2,2H3,(H2,18,19,20,23)