ethyl 4-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methyl-amino]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methyl-amino]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-cyclopropyl-2-[[2-[(4-fluorophenyl)methyl-methyl-amino]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[(4-fluorophenyl)methyl-methylamino]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyclopropyl-2-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-cyclopropyl-2-[[2-[(4-fluorobenzyl)-methyl-amino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN(C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN(C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S/c1-3-26-20(25)18-16(14-6-7-14)12-27-19(18)22-17(24)11-23(2)10-13-4-8-15(21)9-5-13/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,24)