ethyl (2Z)-2-cyano-2-(5-methylsulfanyl-3-oxidanylidene-isoindol-1-ylidene)ethanoate

Systemtic Name: ethyl (2Z)-2-cyano-2-(5-methylsulfanyl-3-oxidanylidene-isoindol-1-ylidene)ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-(5-methylsulfanyl-3-oxo-isoindolin-1-ylidene)acetate CAS Name: (2Z)-2-cyano-2-[5-(methylthio)-3-oxo-1-isoindolylidene]acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-(5-methylsulfanyl-3-oxoisoindol-1-ylidene)acetate Traditional Name: (2Z)-2-cyano-2-[3-keto-5-(methylthio)isoindolin-1-ylidene]acetic acid ethyl ester Formula: C14H12N2O3S MolecularWeight: 288.32168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C2=C(C=C(C=C2)SC)C(=O)N1)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C2=C(C=C(C=C2)SC)C(=O)N1)/C#N

InChI

InChI=1S/C14H12N2O3S/c1-3-19-14(18)11(7-15)12-9-5-4-8(20-2)6-10(9)13(17)16-12/h4-6H,3H2,1-2H3,(H,16,17)/b12-11-