ethyl 2-[2-[[4-(4-ethoxyphenyl)-5-[[(3-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-(4-ethoxyphenyl)-5-[[(3-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-(4-ethoxyphenyl)-5-[[(3-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-(4-ethoxyphenyl)-5-[[[(3-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-(4-ethoxyphenyl)-5-[[(3-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-[[5-[(m-anisoylamino)methyl]-4-p-phenetyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C31H33N5O6S2 MolecularWeight: 635.75362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC)CNC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C4=C(S3)CCC4)C(=O)OCC)CNC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H33N5O6S2/c1-4-41-21-14-12-20(13-15-21)36-25(17-32-28(38)19-8-6-9-22(16-19)40-3)34-35-31(36)43-18-26(37)33-29-27(30(39)42-5-2)23-10-7-11-24(23)44-29/h6,8-9,12-16H,4-5,7,10-11,17-18H2,1-3H3,(H,32,38)(H,33,37)