[2-(2-diethylaminoethyl)-3-oxidanylidene-1-pyridin-2-yl-isoindol-1-yl] (methyldisulfanyl)methanoate

Systemtic Name: [2-(2-diethylaminoethyl)-3-oxidanylidene-1-pyridin-2-yl-isoindol-1-yl] (methyldisulfanyl)methanoate Openeye Name: [2-(2-diethylaminoethyl)-3-oxo-1-(2-pyridyl)isoindolin-1-yl] (methyldisulfanyl)formate CAS Name: (methyldisulfanyl)formic acid [2-(2-diethylaminoethyl)-3-oxo-1-(2-pyridinyl)-1-isoindolyl] ester IUPAC Name: [2-(2-diethylaminoethyl)-3-oxo-1-pyridin-2-ylisoindol-1-yl] (methyldisulfanyl)formate Traditional Name: (methyldisulfanyl)formic acid [2-(2-diethylaminoethyl)-3-keto-1-(2-pyridyl)isoindolin-1-yl] ester Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC=CC=C2C1(C3=CC=CC=N3)OC(=O)SSC

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2C1(C3=CC=CC=N3)OC(=O)SSC

InChI

InChI=1S/C21H25N3O3S2/c1-4-23(5-2)14-15-24-19(25)16-10-6-7-11-17(16)21(24,27-20(26)29-28-3)18-12-8-9-13-22-18/h6-13H,4-5,14-15H2,1-3H3