[4-[(E)-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-3-(2-fluoroanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C23H20FNO5S MolecularWeight: 441.472003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)NC3=CC=CC=C3F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3F)OC

InChI

InChI=1S/C23H20FNO5S/c1-16-7-11-18(12-8-16)31(27,28)30-21-13-9-17(15-22(21)29-2)10-14-23(26)25-20-6-4-3-5-19(20)24/h3-15H,1-2H3,(H,25,26)/b14-10+