ethyl 2-[2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[(4-chloranyl-3-fluoranyl-phenyl)carbamothioylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[(4-chloro-3-fluoro-phenyl)carbamothioylamino]thiazol-4-yl]acetate CAS Name: 2-[2-[[(4-chloro-3-fluoroanilino)-sulfanylidenemethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(4-chloro-3-fluorophenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[(4-chloro-3-fluoro-phenyl)thiocarbamoylamino]thiazol-4-yl]acetic acid ethyl ester Formula: C14H13ClFN3O2S2 MolecularWeight: 373.853323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=S)NC2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=S)NC2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C14H13ClFN3O2S2/c1-2-21-12(20)6-9-7-23-14(18-9)19-13(22)17-8-3-4-10(15)11(16)5-8/h3-5,7H,2,6H2,1H3,(H2,17,18,19,22)