ethyl 2-[2-[[4-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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-[[4-cyclohexyl-5-[(m-anisoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C29H35N5O5S2 MolecularWeight: 597.7487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(N3C4CCCCC4)CNC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H35N5O5S2/c1-3-39-28(37)25-21-13-8-14-22(21)41-27(25)31-24(35)17-40-29-33-32-23(34(29)19-10-5-4-6-11-19)16-30-26(36)18-9-7-12-20(15-18)38-2/h7,9,12,15,19H,3-6,8,10-11,13-14,16-17H2,1-2H3,(H,30,36)(H,31,35)