ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-[2-(1,3-dioxo-2-isoindolyl)ethyl]-6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-(2-phthalimidoethyl)nicotinic acid ethyl ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)SCC

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCN3C(=O)C4=CC=CC=C4C3=O)C(=O)SCC

InChI

InChI=1S/C29H28N2O5S/c1-4-22-23(29(35)37-6-3)21(16-17-31-26(32)19-14-10-11-15-20(19)27(31)33)24(28(34)36-5-2)25(30-22)18-12-8-7-9-13-18/h7-15H,4-6,16-17H2,1-3H3