AC1LJJEF

ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: Oprea1_034711|Oprea1_503817|AK-968/41926741|SR-01000445542-1|ethyl 2-(5-chloro-2-nitrobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|F0817-0383|ETHYL 2-(5-CHLORO-2-NITROBENZAMIDO)-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE|ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-({5-chloro-2-nitrobenzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4,5,6,7,8-pentahydrocyclohepta [1,2-b]thiophene-3-carboxylate|ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Molecular Formula	C19H19ClN2O5S
Molecular Weight	422.0703 g/mol
LogP	5.0076
Topological Polar Surface Area	98.54 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	422.0703
Monoisotopic Mass	422.0703
Heavy Atoms	28
Complexity	940.64545

Chemical Identifiers

CAS Number	397290-70-9
SMILES	CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]