(E)-3-ethoxy-2-(2-methyl-5-methylsulfanyl-3-oxidanylidene-1H-isoindol-1-yl)-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-(2-methyl-5-methylsulfanyl-3-oxidanylidene-1H-isoindol-1-yl)-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-5-methylsulfanyl-3-oxo-isoindolin-1-yl)prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-[2-methyl-5-(methylthio)-3-oxo-1H-isoindol-1-yl]-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-5-methylsulfanyl-3-oxo-1H-isoindol-1-yl)prop-2-enenitrile Traditional Name: (E)-3-ethoxy-3-hydroxy-2-[3-keto-2-methyl-5-(methylthio)isoindolin-1-yl]acrylonitrile Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=C(C=C(C=C2)SC)C(=O)N1C)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=C(C=C(C=C2)SC)C(=O)N1C)/O

InChI

InChI=1S/C15H16N2O3S/c1-4-20-15(19)12(8-16)13-10-6-5-9(21-3)7-11(10)14(18)17(13)2/h5-7,13,19H,4H2,1-3H3/b15-12-