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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-fluorophenyl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-fluorophenyl)thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C15H13FN2O2S2 MolecularWeight: 336.404323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=CC=C(C=C2)F

InChI

InChI=1S/C15H13FN2O2S2/c1-2-20-15(19)13-12(11(7-17)14(18)22-13)8-21-10-5-3-9(16)4-6-10/h3-6H,2,8,18H2,1H3