(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-phenylsulfanylprop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C15H14N2O3S/c1-11(17)13(9-16)14(18)10-20-15(19)7-8-21-12-5-3-2-4-6-12/h2-8,13,17H,10H2,1H3/b8-7+,17-11?