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

Systemtic Name: (E)-3-[3-ethoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]-2-isocyano-prop-2-enamide Openeye Name: (E)-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]-2-isocyano-prop-2-enamide CAS Name: (E)-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-isocyano-2-propenamide IUPAC Name: (E)-3-[3-ethoxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]-2-isocyanoprop-2-enamide Traditional Name: (E)-3-[3-ethoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-isocyano-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(=O)N)[N+]#[C-]

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C(=O)N)/[N+]#[C-]

InChI

InChI=1S/C19H18N2O3S/c1-3-24-17-11-13(10-16(21-2)19(20)23)9-14(18(17)22)12-25-15-7-5-4-6-8-15/h4-11,22H,3,12H2,1H3,(H2,20,23)/b16-10+