(E)-2-cyano-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-morpholin-4-ylcarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-2-cyano-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[3-[4-morpholinyl(oxo)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-2-cyano-N-[3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(2-pyridyl)acrylamide Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=CC=CC=N3)C#N)C(=O)N4CCOCC4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=CC=CC=N3)/C#N)C(=O)N4CCOCC4

InChI

InChI=1S/C22H22N4O3S/c23-14-15(13-16-5-3-4-8-24-16)20(27)25-21-19(17-6-1-2-7-18(17)30-21)22(28)26-9-11-29-12-10-26/h3-5,8,13H,1-2,6-7,9-12H2,(H,25,27)/b15-13+