N-(5-chloranyl-2-methoxy-phenyl)-2-(pyridin-3-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(pyridin-3-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(3-pyridylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-(3-pyridinylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-(3-pyridylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCC3)NCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(SC3=C2CCC3)NCC4=CN=CC=C4

InChI

InChI=1S/C21H20ClN3O2S/c1-27-17-8-7-14(22)10-16(17)25-20(26)19-15-5-2-6-18(15)28-21(19)24-12-13-4-3-9-23-11-13/h3-4,7-11,24H,2,5-6,12H2,1H3,(H,25,26)