ethyl 5-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[(2,6-difluorobenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2,6-difluorobenzoyl)amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[(2,6-difluorobenzoyl)amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C16H12F2N2O3S2 MolecularWeight: 382.404886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC=C2F)F)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C=CC=C2F)F)SC#N)C

InChI

InChI=1S/C16H12F2N2O3S2/c1-3-23-16(22)13-8(2)12(24-7-19)15(25-13)20-14(21)11-9(17)5-4-6-10(11)18/h4-6H,3H2,1-2H3,(H,20,21)