[3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Systemtic Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [3-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [3-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [3-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)C=CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=CC=C2)OC(=O)/C=C/C3=CC=CC=C3Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-14-12-19(25-21(23-14)28-2)24-16-7-5-8-17(13-16)27-20(26)11-10-15-6-3-4-9-18(15)22/h3-13H,1-2H3,(H,23,24,25)/b11-10+