ethyl 5-azanyl-4-cyano-3-[[1-(3-fluorophenyl)cyclopentyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(3-fluorophenyl)cyclopentyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(3-fluorophenyl)cyclopentyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C21H21FN2O4S MolecularWeight: 416.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2(CCCC2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O4S/c1-2-27-19(25)17-16(15(11-23)18(24)29-17)12-28-20(26)21(8-3-4-9-21)13-6-5-7-14(22)10-13/h5-7,10H,2-4,8-9,12,24H2,1H3