2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)prop-2-enethioamide

Systemtic Name: 2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enyl-phenyl)prop-2-enethioamide Openeye Name: 3-(3-allyl-4-benzyloxy-5-ethoxy-phenyl)-2-cyano-prop-2-enethioamide CAS Name: 2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)-2-propenethioamide IUPAC Name: 2-cyano-3-(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)prop-2-enethioamide Traditional Name: 3-(3-allyl-4-benzoxy-5-ethoxy-phenyl)-2-cyano-thioacrylamide Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C(=S)N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC2=CC=CC=C2)CC=C)C=C(C#N)C(=S)N

InChI

InChI=1S/C22H22N2O2S/c1-3-8-18-11-17(12-19(14-23)22(24)27)13-20(25-4-2)21(18)26-15-16-9-6-5-7-10-16/h3,5-7,9-13H,1,4,8,15H2,2H3,(H2,24,27)