ethyl 2-[2-[[4-(2-methoxyphenyl)-5-[[(4-nitrophenyl)carbonylamino]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-methoxyphenyl)-5-[[(4-nitrophenyl)carbonylamino]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-methoxyphenyl)-5-[[(4-nitrobenzoyl)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-(2-methoxyphenyl)-5-[[[(4-nitrophenyl)-oxomethyl]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-methoxyphenyl)-5-[[(4-nitrobenzoyl)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-(2-methoxyphenyl)-5-[[(4-nitrobenzoyl)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: C31H32N6O7S2 MolecularWeight: 664.75178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4OC)CNC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H32N6O7S2/c1-3-44-30(40)27-21-9-5-4-6-12-24(21)46-29(27)33-26(38)18-45-31-35-34-25(36(31)22-10-7-8-11-23(22)43-2)17-32-28(39)19-13-15-20(16-14-19)37(41)42/h7-8,10-11,13-16H,3-6,9,12,17-18H2,1-2H3,(H,32,39)(H,33,38)