ethyl 2-[2-[[5-[[(3-fluorophenyl)carbonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-[[(3-fluorophenyl)carbonylamino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(3-fluorophenyl)-oxomethyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[[(3-fluorobenzoyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H24FN5O4S2 MolecularWeight: 517.596163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C)CNC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C)CNC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C23H24FN5O4S2/c1-3-33-22(32)19-15-8-5-9-16(15)35-21(19)26-18(30)12-34-23-28-27-17(29(23)2)11-25-20(31)13-6-4-7-14(24)10-13/h4,6-7,10H,3,5,8-9,11-12H2,1-2H3,(H,25,31)(H,26,30)