[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-[4-(1,3-dithian-2-yl)phenoxy]ethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate CAS Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-[4-(1,3-dithian-2-yl)phenoxy]acetate Traditional Name: 2-[4-(1,3-dithian-2-yl)phenoxy]acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)COC1=CC=C(C=C1)C2SCCCS2)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)COC1=CC=C(C=C1)C2SCCCS2)/N

InChI

InChI=1S/C18H20N2O4S2/c1-12(20)15(9-19)16(21)10-24-17(22)11-23-14-5-3-13(4-6-14)18-25-7-2-8-26-18/h3-6,18H,2,7-8,10-11,20H2,1H3/b15-12+