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

Systemtic Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[4-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[4-[2-[(4-chlorophenyl)thio]ethoxy]-3-methoxy-phenyl]-2-cyano-acrylamide Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-24-18-11-13(10-14(12-21)19(22)23)2-7-17(18)25-8-9-26-16-5-3-15(20)4-6-16/h2-7,10-11H,8-9H2,1H3,(H2,22,23)/b14-10+