(E)-2-cyano-3-[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]acrylamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H18N2O3S/c1-2-24-17-10-13(8-14(11-20)19(21)23)9-15(18(17)22)12-25-16-6-4-3-5-7-16/h3-10,22H,2,12H2,1H3,(H2,21,23)/b14-8+