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

Systemtic Name: ethyl 2-[2-[[4-(2,5-dimethylphenyl)-5-[[(2-fluorophenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(2,5-dimethylphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2,5-dimethylphenyl)-5-[[[(2-fluorophenyl)-oxomethyl]amino]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-[[4-(2,5-dimethylphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2,5-dimethylphenyl)-5-[[(2-fluorobenzoyl)amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-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)CSC3=NN=C(N3C4=C(C=CC(=C4)C)C)CNC(=O)C5=CC=CC=C5F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=C(C=CC(=C4)C)C)CNC(=O)C5=CC=CC=C5F

InChI

InChI=1S/C30H30FN5O4S2/c1-4-40-29(39)26-20-9-7-11-23(20)42-28(26)33-25(37)16-41-30-35-34-24(36(30)22-14-17(2)12-13-18(22)3)15-32-27(38)19-8-5-6-10-21(19)31/h5-6,8,10,12-14H,4,7,9,11,15-16H2,1-3H3,(H,32,38)(H,33,37)