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

Systemtic Name: ethyl 2-[2-[[4-(4-fluorophenyl)-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-(4-fluorophenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(4-fluorophenyl)-5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-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-(4-fluorophenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[4-(4-fluorophenyl)-5-[(m-toluoylamino)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(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)C

InChI

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