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

Systemtic Name: ethyl 2-azanyl-4-[[(3-fluoranyl-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(3-fluoro-4-methoxy-phenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(3-fluoro-4-methoxyphenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(3-fluoro-4-methoxy-benzyl)-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C19H24FN3O4S MolecularWeight: 409.474963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC(=C(C=C2)OC)F)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CN(C)CC2=CC(=C(C=C2)OC)F)C(=O)NC)N

InChI

InChI=1S/C19H24FN3O4S/c1-5-27-19(25)15-12(16(18(24)22-2)28-17(15)21)10-23(3)9-11-6-7-14(26-4)13(20)8-11/h6-8H,5,9-10,21H2,1-4H3,(H,22,24)