methyl 4-[(E)-3-[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-[4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenoxy]-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-[4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenoxy]-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-[4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenoxy]-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-[4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenoxy]prop-1-enyl]benzoic acid methyl ester Formula: C23H21N3O4S MolecularWeight: 435.49554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-15-14-20(26-23(24-15)31-3)25-18-9-11-19(12-10-18)30-21(27)13-6-16-4-7-17(8-5-16)22(28)29-2/h4-14H,1-3H3,(H,24,25,26)/b13-6+