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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(4-methylsulfanylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(methylthio)phenyl]-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(4-methylsulfanylphenyl)prop-2-enoate Traditional Name: (E)-3-[4-(methylthio)phenyl]acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-11(18)14(9-17)15(19)10-21-16(20)8-5-12-3-6-13(22-2)7-4-12/h3-8,14,18H,10H2,1-2H3/b8-5+,18-11?