ethyl 5-azanyl-4-cyano-3-[[(2S)-2-(4-fluoranylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(2S)-2-(4-fluoranylphenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(2S)-2-(4-fluorophenoxy)-1-oxopropoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(2S)-2-(4-fluorophenoxy)propanoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H17FN2O5S MolecularWeight: 392.401383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C(C)OC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)[C@H](C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C18H17FN2O5S/c1-3-24-18(23)15-14(13(8-20)16(21)27-15)9-25-17(22)10(2)26-12-6-4-11(19)5-7-12/h4-7,10H,3,9,21H2,1-2H3/t10-/m0/s1