4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)butanamide Openeye Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-6-ium-2-yl)-4-phthalimido-butyramide Formula: C24H27N4O3S+ MolecularWeight: 451.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C

Isomeric SMILES

CC1(CC2=C(C([NH2+]1)(C)C)SC(=C2C#N)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C

InChI

InChI=1S/C24H26N4O3S/c1-23(2)12-16-17(13-25)20(32-19(16)24(3,4)27-23)26-18(29)10-7-11-28-21(30)14-8-5-6-9-15(14)22(28)31/h5-6,8-9,27H,7,10-12H2,1-4H3,(H,26,29)/p+1