ethyl 5-[2-[4-[(4-fluorophenyl)carbonylamino]piperidin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[2-[4-[(4-fluorophenyl)carbonylamino]piperidin-1-yl]ethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-[4-[(4-fluorobenzoyl)amino]-1-piperidyl]acetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[4-[[(4-fluorophenyl)-oxomethyl]amino]-1-piperidinyl]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[4-[(4-fluorobenzoyl)amino]piperidino]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)CN2CCC(CC2)NC(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O4S/c1-3-30-22(29)20-14(2)12-19(31-20)25-18(27)13-26-10-8-17(9-11-26)24-21(28)15-4-6-16(23)7-5-15/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,24,28)(H,25,27)