ethyl 2-[2-[[4-butyl-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[(furan-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[[2-furanyl(oxo)methyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-butyl-5-[(furan-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-[(2-furoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C26H33N5O5S2 MolecularWeight: 559.70072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)C4=CC=CO4

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)C4=CC=CO4

InChI

InChI=1S/C26H33N5O5S2/c1-3-5-13-31-20(15-27-23(33)18-11-9-14-36-18)29-30-26(31)37-16-21(32)28-24-22(25(34)35-4-2)17-10-7-6-8-12-19(17)38-24/h9,11,14H,3-8,10,12-13,15-16H2,1-2H3,(H,27,33)(H,28,32)