AC1LUTJR

methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: methyl 2-({(2E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|methyl 2-[[(E)-3-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|(E)-methyl 2-(3-(5-(4-chloro-3-nitrophenyl)furan-2-yl)-2-cyanoacrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methyl 2-{(2E)-3-[5-(4-chloro-3-nitrophenyl)(2-furyl)]-2-cyanoprop-2-enoylamin o}-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate

Molecular Formula	C24H18ClN3O6S
Molecular Weight	511.0605 g/mol
LogP	5.78078
Topological Polar Surface Area	135.47 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	511.0605
Monoisotopic Mass	511.0605
Heavy Atoms	35
Complexity	1414.9642

Chemical Identifiers

CAS Number	469877-08-5
SMILES	COC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])/C#N