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

Systemtic Name: ethyl 2-[2-[[5-[[(2-fluorophenyl)carbonylamino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(2-fluorophenyl)-oxomethyl]amino]methyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[4-benzyl-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C30H30FN5O4S2 MolecularWeight: 607.718703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C30H30FN5O4S2/c1-3-40-29(39)25-21-13-9-15-23(21)42-28(25)33-26(37)18(2)41-30-35-34-24(36(30)17-19-10-5-4-6-11-19)16-32-27(38)20-12-7-8-14-22(20)31/h4-8,10-12,14,18H,3,9,13,15-17H2,1-2H3,(H,32,38)(H,33,37)