ethyl 2-[2-[[4-butyl-5-[[2-(4-methoxyphenyl)ethanoylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[4-butyl-5-[[2-(4-methoxyphenyl)ethanoylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[4-butyl-5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[4-butyl-5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C30H39N5O5S2 MolecularWeight: 613.79116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)OCC)CNC(=O)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C30H39N5O5S2/c1-4-6-16-35-24(18-31-25(36)17-20-12-14-21(39-3)15-13-20)33-34-30(35)41-19-26(37)32-28-27(29(38)40-5-2)22-10-8-7-9-11-23(22)42-28/h12-15H,4-11,16-19H2,1-3H3,(H,31,36)(H,32,37)