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

Systemtic Name: methyl 2-[[4-[bis(fluoranyl)methoxy]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(difluoromethoxy)anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(difluoromethoxy)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(difluoromethoxy)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16F2N2O3S2 MolecularWeight: 434.479446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F2N2O3S2/c1-26-18(25)15-11-16(12-5-3-2-4-6-12)29-17(15)24-20(28)23-13-7-9-14(10-8-13)27-19(21)22/h2-11,19H,1H3,(H2,23,24,28)