(E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(3-chloranyl-1-benzothiophen-2-yl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[(2-morpholino-3-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-chloro-1-benzothiophen-2-yl)-N-[(2-morpholin-4-ylpyridin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-(3-chlorobenzothiophen-2-yl)-N-[(2-morpholino-3-pyridyl)methyl]acrylamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=N2)CNC(=O)C=CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1COCCN1C2=C(C=CC=N2)CNC(=O)/C=C/C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H20ClN3O2S/c22-20-16-5-1-2-6-17(16)28-18(20)7-8-19(26)24-14-15-4-3-9-23-21(15)25-10-12-27-13-11-25/h1-9H,10-14H2,(H,24,26)/b8-7+