ethyl 2-[[4-[bis(fluoranyl)methoxy]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-[bis(fluoranyl)methoxy]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(difluoromethoxy)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(difluoromethoxy)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H18F2N2O3S2 MolecularWeight: 448.506026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC(F)F

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H18F2N2O3S2/c1-2-27-19(26)16-12-17(13-6-4-3-5-7-13)30-18(16)25-21(29)24-14-8-10-15(11-9-14)28-20(22)23/h3-12,20H,2H2,1H3,(H2,24,25,29)