ethyl 2-[2-[[5-[[(4-nitrophenyl)carbonylamino]methyl]-4-phenethyl-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-[[(4-nitrophenyl)carbonylamino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenethyl-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-[[[(4-nitrophenyl)-oxomethyl]amino]methyl]-4-phenethyl-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-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[[2-[[5-[[(4-nitrobenzoyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C32H34N6O6S2 MolecularWeight: 662.77896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CCC4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C32H34N6O6S2/c1-2-44-31(41)28-24-11-7-4-8-12-25(24)46-30(28)34-27(39)20-45-32-36-35-26(37(32)18-17-21-9-5-3-6-10-21)19-33-29(40)22-13-15-23(16-14-22)38(42)43/h3,5-6,9-10,13-16H,2,4,7-8,11-12,17-20H2,1H3,(H,33,40)(H,34,39)