ethyl 5-azanyl-4-cyano-3-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[3-[(4-fluorophenyl)thio]-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[3-(4-fluorophenyl)sulfanylpropanoyloxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[3-[(4-fluorophenyl)thio]propanoyloxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O4S2/c1-2-24-18(23)16-14(13(9-20)17(21)27-16)10-25-15(22)7-8-26-12-5-3-11(19)4-6-12/h3-6H,2,7-8,10,21H2,1H3