4-(1-isocyanoethyl)-2-methyl-5-(methylperoxymethyl)-3-(4-methylsulfanylphenyl)thiophene

Systemtic Name: 4-(1-isocyanoethyl)-2-methyl-5-(methylperoxymethyl)-3-(4-methylsulfanylphenyl)thiophene Openeye Name: 4-(1-isocyanoethyl)-2-methyl-5-(methylperoxymethyl)-3-(4-methylsulfanylphenyl)thiophene CAS Name: 4-(1-isocyanoethyl)-2-methyl-5-(methyldioxymethyl)-3-[4-(methylthio)phenyl]thiophene IUPAC Name: 4-(1-isocyanoethyl)-2-methyl-5-(methylperoxymethyl)-3-(4-methylsulfanylphenyl)thiophene Traditional Name: 4-(1-isocyanoethyl)-2-methyl-5-(methylperoxymethyl)-3-[4-(methylthio)phenyl]thiophene Formula: C17H19NO2S2 MolecularWeight: 333.46826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)COOC)C(C)[N+]#[C-])C2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C(=C(S1)COOC)C(C)[N+]#[C-])C2=CC=C(C=C2)SC

InChI

InChI=1S/C17H19NO2S2/c1-11(18-3)16-15(10-20-19-4)22-12(2)17(16)13-6-8-14(21-5)9-7-13/h6-9,11H,10H2,1-2,4-5H3