(E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-(2-fluorophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[3-ethoxy-4-(2-thienylmethoxy)phenyl]-2-(2-fluorobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-[(2-fluorophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-(2-fluorobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-[3-ethoxy-4-(2-thenyloxy)phenyl]-2-(2-fluorobenzoyl)acrylonitrile Formula: C23H18FNO3S MolecularWeight: 407.457323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2F)OCC3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)OCC3=CC=CS3

InChI

InChI=1S/C23H18FNO3S/c1-2-27-22-13-16(9-10-21(22)28-15-18-6-5-11-29-18)12-17(14-25)23(26)19-7-3-4-8-20(19)24/h3-13H,2,15H2,1H3/b17-12+