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

Systemtic Name: ethyl 2-[[2,5-bis(fluoranyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,5-difluorophenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2,5-difluoroanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-difluorophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(2,5-difluorophenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H16F2N2O2S2 MolecularWeight: 418.480046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F2N2O2S2/c1-2-26-19(25)14-11-17(12-6-4-3-5-7-12)28-18(14)24-20(27)23-16-10-13(21)8-9-15(16)22/h3-11H,2H2,1H3,(H2,23,24,27)