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

Systemtic Name: ethyl 2-[2-[[4-cyclohexyl-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-cyclohexyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-cyclohexyl-5-[[[oxo(thiophen-2-yl)methyl]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-cyclohexyl-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[4-cyclohexyl-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H33N5O4S3 MolecularWeight: 587.77702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C(C)SC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC=CS5

InChI

InChI=1S/C27H33N5O4S3/c1-3-36-26(35)22-18-11-7-12-19(18)39-25(22)29-23(33)16(2)38-27-31-30-21(32(27)17-9-5-4-6-10-17)15-28-24(34)20-13-8-14-37-20/h8,13-14,16-17H,3-7,9-12,15H2,1-2H3,(H,28,34)(H,29,33)