ethyl 5-azanyl-4-cyano-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-3-(4-fluorophenyl)-1-oxoprop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-(4-fluorophenyl)acryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H15FN2O4S MolecularWeight: 374.386103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15FN2O4S/c1-2-24-18(23)16-14(13(9-20)17(21)26-16)10-25-15(22)8-5-11-3-6-12(19)7-4-11/h3-8H,2,10,21H2,1H3/b8-5+