ethyl 2-cyano-2-(1-cyano-2-methyl-5-methylsulfanyl-3-oxidanylidene-isoindol-1-yl)ethanoate

Systemtic Name: ethyl 2-cyano-2-(1-cyano-2-methyl-5-methylsulfanyl-3-oxidanylidene-isoindol-1-yl)ethanoate Openeye Name: ethyl 2-cyano-2-(1-cyano-2-methyl-5-methylsulfanyl-3-oxo-isoindolin-1-yl)acetate CAS Name: 2-cyano-2-[1-cyano-2-methyl-5-(methylthio)-3-oxo-1-isoindolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(1-cyano-2-methyl-5-methylsulfanyl-3-oxoisoindol-1-yl)acetate Traditional Name: 2-cyano-2-[1-cyano-3-keto-2-methyl-5-(methylthio)isoindolin-1-yl]acetic acid ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=C(C=C(C=C2)SC)C(=O)N1C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=C(C=C(C=C2)SC)C(=O)N1C)C#N

InChI

InChI=1S/C16H15N3O3S/c1-4-22-15(21)13(8-17)16(9-18)12-6-5-10(23-3)7-11(12)14(20)19(16)2/h5-7,13H,4H2,1-3H3