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

Systemtic Name: ethyl 2-[2-[[5-[[2-(4-methoxyphenyl)ethanoylamino]methyl]-4-(phenylmethyl)-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-benzyl-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-[[5-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]methyl]-4-(phenylmethyl)-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-benzyl-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-benzyl-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: C33H37N5O5S2 MolecularWeight: 647.80738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)CC5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CC4=CC=CC=C4)CNC(=O)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C33H37N5O5S2/c1-3-43-32(41)30-25-12-8-5-9-13-26(25)45-31(30)35-29(40)21-44-33-37-36-27(38(33)20-23-10-6-4-7-11-23)19-34-28(39)18-22-14-16-24(42-2)17-15-22/h4,6-7,10-11,14-17H,3,5,8-9,12-13,18-21H2,1-2H3,(H,34,39)(H,35,40)