ethyl 2-[2-[[4-(4-fluorophenyl)-5-[[(3-methoxyphenyl)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-(4-fluorophenyl)-5-[[(3-methoxyphenyl)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-(4-fluorophenyl)-5-[[(3-methoxybenzoyl)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-(4-fluorophenyl)-5-[[[(3-methoxyphenyl)-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-(4-fluorophenyl)-5-[[(3-methoxybenzoyl)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-(4-fluorophenyl)-5-[(m-anisoylamino)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: C31H32FN5O5S2 MolecularWeight: 637.744683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)F)CNC(=O)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H32FN5O5S2/c1-3-42-30(40)27-23-10-5-4-6-11-24(23)44-29(27)34-26(38)18-43-31-36-35-25(37(31)21-14-12-20(32)13-15-21)17-33-28(39)19-8-7-9-22(16-19)41-2/h7-9,12-16H,3-6,10-11,17-18H2,1-2H3,(H,33,39)(H,34,38)