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

Systemtic Name: [4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-bis(oxidanylidene)-2-phenyl-isoindole-5-carboxylate Openeye Name: [4-[(5-ethoxycarbonyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenyl-5-isoindolecarboxylic acid [4-[[5-ethoxycarbonyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(5-ethoxycarbonyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 1,3-dioxo-2-phenylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenyl-isoindoline-5-carboxylic acid [4-[[5-carbethoxy-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C29H22N4O6S MolecularWeight: 554.57318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H22N4O6S/c1-3-38-28(37)23-16-30-29(40-2)32-24(23)31-18-10-12-20(13-11-18)39-27(36)17-9-14-21-22(15-17)26(35)33(25(21)34)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,30,31,32)