(E)-3-azanyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]but-2-enenitrile Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=CC2=C(C=C1)OCCO2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=CC2=C(C=C1)OCCO2)/N

InChI

InChI=1S/C14H14N2O3S/c1-9(16)11(7-15)12(17)8-20-10-2-3-13-14(6-10)19-5-4-18-13/h2-3,6H,4-5,8,16H2,1H3/b11-9+