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

Systemtic Name: (E)-2-(2-fluorophenyl)carbonyl-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enenitrile Openeye Name: (E)-2-(2-fluorobenzoyl)-3-[3-methoxy-4-(2-thienylmethoxy)phenyl]prop-2-enenitrile CAS Name: (E)-2-[(2-fluorophenyl)-oxomethyl]-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2-fluorobenzoyl)-3-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]prop-2-enenitrile Traditional Name: (E)-2-(2-fluorobenzoyl)-3-[3-methoxy-4-(2-thenyloxy)phenyl]acrylonitrile Formula: C22H16FNO3S MolecularWeight: 393.430743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2F)OCC3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)OCC3=CC=CS3

InChI

InChI=1S/C22H16FNO3S/c1-26-21-12-15(8-9-20(21)27-14-17-5-4-10-28-17)11-16(13-24)22(25)18-6-2-3-7-19(18)23/h2-12H,14H2,1H3/b16-11+