(E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-ethoxy-phenyl]-2-cyano-acrylamide Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-2-25-19-12-14(11-15(13-22)20(23)24)3-8-18(19)26-9-10-27-17-6-4-16(21)5-7-17/h3-8,11-12H,2,9-10H2,1H3,(H2,23,24)/b15-11+