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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[ethyl-(3-fluoro-4-methoxy-benzyl)amino]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H22FN3O3S MolecularWeight: 391.459683

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C#N)N)C(=O)OCC

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)CC2=C(SC(=C2C#N)N)C(=O)OCC

InChI

InChI=1S/C19H22FN3O3S/c1-4-23(10-12-6-7-16(25-3)15(20)8-12)11-14-13(9-21)18(22)27-17(14)19(24)26-5-2/h6-8H,4-5,10-11,22H2,1-3H3