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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(4-fluorophenyl)methyl-methyl-amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(4-fluorophenyl)methyl-methyl-amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(4-fluorophenyl)methyl-methylamino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(4-fluorobenzyl)-methyl-amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C17H18FN3O2S MolecularWeight: 347.407123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O2S/c1-3-23-17(22)15-14(13(8-19)16(20)24-15)10-21(2)9-11-4-6-12(18)7-5-11/h4-7H,3,9-10,20H2,1-2H3