4-chloranyl-5-[(E)-3-ethylperoxy-2-isocyano-prop-1-enyl]-2-methyl-thiophene-3-carbonitrile

Systemtic Name: 4-chloranyl-5-[(E)-3-ethylperoxy-2-isocyano-prop-1-enyl]-2-methyl-thiophene-3-carbonitrile Openeye Name: 4-chloro-5-[(E)-3-ethylperoxy-2-isocyano-prop-1-enyl]-2-methyl-thiophene-3-carbonitrile CAS Name: 4-chloro-5-[(E)-3-ethyldioxy-2-isocyanoprop-1-enyl]-2-methyl-3-thiophenecarbonitrile IUPAC Name: 4-chloro-5-[(E)-3-ethylperoxy-2-isocyanoprop-1-enyl]-2-methylthiophene-3-carbonitrile Traditional Name: 4-chloro-5-[(E)-3-ethylperoxy-2-isocyano-prop-1-enyl]-2-methyl-thiophene-3-carbonitrile Formula: C12H11ClN2O2S MolecularWeight: 282.74594

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Descriptors Computed from Structure

Canonical SMILES:

CCOOCC(=CC1=C(C(=C(S1)C)C#N)Cl)[N+]#[C-]

Isomeric SMILES

CCOOC/C(=C\C1=C(C(=C(S1)C)C#N)Cl)/[N+]#[C-]

InChI

InChI=1S/C12H11ClN2O2S/c1-4-16-17-7-9(15-3)5-11-12(13)10(6-14)8(2)18-11/h5H,4,7H2,1-2H3/b9-5+