[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CSC1=CC2=CC=CC=C2C=C1)/N

InChI

InChI=1S/C18H16N2O3S/c1-12(20)16(9-19)17(21)10-23-18(22)11-24-15-7-6-13-4-2-3-5-14(13)8-15/h2-8H,10-11,20H2,1H3/b16-12+