ethyl 5-[2-(4-fluorophenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-(4-fluorophenyl)ethanoylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[2-(4-fluorophenyl)-1-oxoethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-fluorophenyl)acetyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[2-(4-fluorophenyl)acetyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C17H15FN2O3S2 MolecularWeight: 378.441003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)F)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CC2=CC=C(C=C2)F)SC#N)C

InChI

InChI=1S/C17H15FN2O3S2/c1-3-23-17(22)15-10(2)14(24-9-19)16(25-15)20-13(21)8-11-4-6-12(18)7-5-11/h4-7H,3,8H2,1-2H3,(H,20,21)