[3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate

Systemtic Name: [3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: [3-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid [3-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid [3-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C31H26N4O6S MolecularWeight: 582.62634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CCC5=CC=CC=C5)SC

InChI

InChI=1S/C31H26N4O6S/c1-3-40-30(39)25-18-32-31(42-2)34-26(25)33-21-10-7-11-22(17-21)41-29(38)20-12-13-23-24(16-20)28(37)35(27(23)36)15-14-19-8-5-4-6-9-19/h4-13,16-18H,3,14-15H2,1-2H3,(H,32,33,34)