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

Systemtic Name: ethyl 2-[2-[[5-[[2-(4-chloranylphenoxy)ethanoylamino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[5-[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]methyl]-4-phenethyl-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-[[5-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C31H32ClN5O5S2 MolecularWeight: 654.19928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)COC5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H32ClN5O5S2/c1-2-41-30(40)28-23-9-6-10-24(23)44-29(28)34-27(39)19-43-31-36-35-25(37(31)16-15-20-7-4-3-5-8-20)17-33-26(38)18-42-22-13-11-21(32)12-14-22/h3-5,7-8,11-14H,2,6,9-10,15-19H2,1H3,(H,33,38)(H,34,39)