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

Systemtic Name: ethyl 2-[2-[[5-[[(4-methoxyphenyl)carbonylamino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-4-[3-(trifluoromethyl)phenyl]-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-[[(4-methoxybenzoyl)amino]methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[(p-anisoylamino)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C30H28F3N5O5S2 MolecularWeight: 659.69903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28F3N5O5S2/c1-3-43-28(41)25-21-8-5-9-22(21)45-27(25)35-24(39)16-44-29-37-36-23(15-34-26(40)17-10-12-20(42-2)13-11-17)38(29)19-7-4-6-18(14-19)30(31,32)33/h4,6-7,10-14H,3,5,8-9,15-16H2,1-2H3,(H,34,40)(H,35,39)