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

Systemtic Name: ethyl 2-azanyl-4-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[(3-fluorophenyl)methyl-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[(3-fluorobenzyl)-methyl-amino]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C18H22FN3O3S MolecularWeight: 379.448983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22FN3O3S/c1-4-25-18(24)14-13(15(17(23)21-2)26-16(14)20)10-22(3)9-11-6-5-7-12(19)8-11/h5-8H,4,9-10,20H2,1-3H3,(H,21,23)