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

Systemtic Name: ethyl 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate Openeye Name: ethyl 4-[3-(1,3-dioxoisoindolin-2-yl)propyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenyl-pyridine-3-carboxylate CAS Name: 4-[3-(1,3-dioxo-2-isoindolyl)propyl]-6-ethyl-5-[(ethylthio)-oxomethyl]-2-phenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-6-ethyl-5-ethylsulfanylcarbonyl-2-phenylpyridine-3-carboxylate Traditional Name: 6-ethyl-5-(ethylthio)carbonyl-2-phenyl-4-(3-phthalimidopropyl)nicotinic acid ethyl ester Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)SCC

Isomeric SMILES

CCC1=C(C(=C(C(=N1)C2=CC=CC=C2)C(=O)OCC)CCCN3C(=O)C4=CC=CC=C4C3=O)C(=O)SCC

InChI

InChI=1S/C30H30N2O5S/c1-4-23-24(30(36)38-6-3)22(17-12-18-32-27(33)20-15-10-11-16-21(20)28(32)34)25(29(35)37-5-2)26(31-23)19-13-8-7-9-14-19/h7-11,13-16H,4-6,12,17-18H2,1-3H3