(1E)-5-fluoranyl-3-(isocyanatomethyl)-2-methyl-1-[(4-methylsulfonylphenyl)methylidene]indene

Systemtic Name: (1E)-5-fluoranyl-3-(isocyanatomethyl)-2-methyl-1-[(4-methylsulfonylphenyl)methylidene]indene Openeye Name: (1E)-5-fluoro-3-(isocyanatomethyl)-2-methyl-1-[(4-methylsulfonylphenyl)methylene]indene CAS Name: (1E)-5-fluoro-3-(isocyanatomethyl)-2-methyl-1-[(4-methylsulfonylphenyl)methylidene]indene IUPAC Name: (1E)-5-fluoro-3-(isocyanatomethyl)-2-methyl-1-[(4-methylsulfonylphenyl)methylidene]indene Traditional Name: (1E)-5-fluoro-3-(isocyanatomethyl)-1-(4-mesylbenzylidene)-2-methyl-indene Formula: C20H16FNO3S MolecularWeight: 369.409343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CN=C=O

Isomeric SMILES

CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CN=C=O

InChI

InChI=1S/C20H16FNO3S/c1-13-18(9-14-3-6-16(7-4-14)26(2,24)25)17-8-5-15(21)10-19(17)20(13)11-22-12-23/h3-10H,11H2,1-2H3/b18-9+