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

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[[(4-methoxyphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-butyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[[(4-methoxyphenyl)-oxomethyl]amino]methyl]-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-[[4-butyl-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-[(p-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H33N5O5S2 MolecularWeight: 571.71142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OCC)CNC(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H33N5O5S2/c1-4-6-14-32-21(15-28-24(34)17-10-12-18(36-3)13-11-17)30-31-27(32)38-16-22(33)29-25-23(26(35)37-5-2)19-8-7-9-20(19)39-25/h10-13H,4-9,14-16H2,1-3H3,(H,28,34)(H,29,33)