[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-10(18)12(7-17)13(19)8-23-16(20)9-24-11-2-3-14-15(6-11)22-5-4-21-14/h2-3,6H,4-5,8-9,18H2,1H3/b12-10+