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

Systemtic Name: ethyl 2-[2-[[4-(2-methoxyphenyl)-5-[(thiophen-2-ylcarbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-(2-methoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-(2-methoxyphenyl)-5-[[[oxo(thiophen-2-yl)methyl]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-(2-methoxyphenyl)-5-[(thiophene-2-carbonylamino)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-(2-methoxyphenyl)-5-[(2-thenoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C27H27N5O5S3 MolecularWeight: 597.72878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=CS5

InChI

InChI=1S/C27H27N5O5S3/c1-3-37-26(35)23-16-8-6-11-19(16)40-25(23)29-22(33)15-39-27-31-30-21(14-28-24(34)20-12-7-13-38-20)32(27)17-9-4-5-10-18(17)36-2/h4-5,7,9-10,12-13H,3,6,8,11,14-15H2,1-2H3,(H,28,34)(H,29,33)