4-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione

Systemtic Name: 4-[[(3R)-3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Openeye Name: 4-[[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-dione CAS Name: 4-[[(3R)-3-methyl-1,1-dioxo-3-thiolanyl]iminomethyl]-2-(2-pyridinyl)-4H-isoquinoline-1,3-dione IUPAC Name: 4-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]iminomethyl]-2-pyridin-2-yl-4H-isoquinoline-1,3-dione Traditional Name: 4-[[(3R)-1,1-diketo-3-methyl-thiolan-3-yl]iminomethyl]-2-(2-pyridyl)-4H-isoquinoline-1,3-quinone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

C[C@]1(CCS(=O)(=O)C1)N=CC2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C20H19N3O4S/c1-20(9-11-28(26,27)13-20)22-12-16-14-6-2-3-7-15(14)18(24)23(19(16)25)17-8-4-5-10-21-17/h2-8,10,12,16H,9,11,13H2,1H3/t16?,20-/m1/s1