methyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoate

Systemtic Name: methyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]ethanoate Openeye Name: methyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylene]inden-1-yl]acetate CAS Name: 2-[(3E)-6-cyano-2-methyl-3-[[4-(methylthio)phenyl]methylidene]-1-indenyl]acetic acid methyl ester IUPAC Name: methyl 2-[(3E)-6-cyano-2-methyl-3-[(4-methylsulfanylphenyl)methylidene]inden-1-yl]acetate Traditional Name: 2-[(3E)-6-cyano-2-methyl-3-[4-(methylthio)benzylidene]inden-1-yl]acetic acid methyl ester Formula: C22H19NO2S MolecularWeight: 361.45676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)SC)C=CC(=C2)C#N)CC(=O)OC

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)SC)C=CC(=C2)C#N)CC(=O)OC

InChI

InChI=1S/C22H19NO2S/c1-14-19(10-15-4-7-17(26-3)8-5-15)18-9-6-16(13-23)11-21(18)20(14)12-22(24)25-2/h4-11H,12H2,1-3H3/b19-10+