(E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide

Systemtic Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide Openeye Name: (E)-3-(6-methoxy-3-pentyl-benzothiophen-2-yl)-N-[(1S)-1-methyl-4-(3-pyridyl)butyl]prop-2-enamide CAS Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[(2S)-5-(3-pyridinyl)pentan-2-yl]-2-propenamide IUPAC Name: (E)-3-(6-methoxy-3-pentyl-1-benzothiophen-2-yl)-N-[(2S)-5-pyridin-3-ylpentan-2-yl]prop-2-enamide Traditional Name: (E)-3-(3-amyl-6-methoxy-benzothiophen-2-yl)-N-[(1S)-1-methyl-4-(3-pyridyl)butyl]acrylamide Formula: C27H34N2O2S MolecularWeight: 450.63606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(SC2=C1C=CC(=C2)OC)C=CC(=O)NC(C)CCCC3=CN=CC=C3

Isomeric SMILES

CCCCCC1=C(SC2=C1C=CC(=C2)OC)/C=C/C(=O)N[C@@H](C)CCCC3=CN=CC=C3

InChI

InChI=1S/C27H34N2O2S/c1-4-5-6-12-23-24-14-13-22(31-3)18-26(24)32-25(23)15-16-27(30)29-20(2)9-7-10-21-11-8-17-28-19-21/h8,11,13-20H,4-7,9-10,12H2,1-3H3,(H,29,30)/b16-15+/t20-/m0/s1