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

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[(2-phenoxyethanoylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[[4-butyl-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[(1-oxo-2-phenoxyethyl)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-butyl-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[2-[[4-butyl-5-[[(2-phenoxyacetyl)amino]methyl]-1,2,4-triazol-3-yl]thio]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C28H35N5O5S2 MolecularWeight: 585.738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)COC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O5S2/c1-4-6-15-33-22(16-29-23(34)17-38-19-11-8-7-9-12-19)31-32-28(33)39-18(3)25(35)30-26-24(27(36)37-5-2)20-13-10-14-21(20)40-26/h7-9,11-12,18H,4-6,10,13-17H2,1-3H3,(H,29,34)(H,30,35)