[4-(thiophen-2-ylcarbonylamino)phenyl] 3-chloranyladamantane-1-carboxylate

Systemtic Name: [4-(thiophen-2-ylcarbonylamino)phenyl] 3-chloranyladamantane-1-carboxylate Openeye Name: [4-(thiophene-2-carbonylamino)phenyl] 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [4-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester IUPAC Name: [4-(thiophene-2-carbonylamino)phenyl] 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [4-(2-thenoylamino)phenyl] ester Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OC4=CC=C(C=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C22H22ClNO3S/c23-22-11-14-8-15(12-22)10-21(9-14,13-22)20(26)27-17-5-3-16(4-6-17)24-19(25)18-2-1-7-28-18/h1-7,14-15H,8-13H2,(H,24,25)