ethyl 2-[2-[[4-(2,3-dimethylphenyl)-5-[(furan-2-ylcarbonylamino)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-(2,3-dimethylphenyl)-5-[(furan-2-ylcarbonylamino)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-(2,3-dimethylphenyl)-5-[(furan-2-carbonylamino)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-(2,3-dimethylphenyl)-5-[[[2-furanyl(oxo)methyl]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-(2,3-dimethylphenyl)-5-[(furan-2-carbonylamino)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-(2,3-dimethylphenyl)-5-[(2-furoylamino)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: C30H33N5O5S2 MolecularWeight: 607.74352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=CO5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC(=C4C)C)CNC(=O)C5=CC=CO5

InChI

InChI=1S/C30H33N5O5S2/c1-4-39-29(38)26-20-11-6-5-7-14-23(20)42-28(26)32-25(36)17-41-30-34-33-24(16-31-27(37)22-13-9-15-40-22)35(30)21-12-8-10-18(2)19(21)3/h8-10,12-13,15H,4-7,11,14,16-17H2,1-3H3,(H,31,37)(H,32,36)