[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl] ethanoate

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl] ethanoate Openeye Name: [6-(1,3-dioxoisoindolin-2-yl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-4-yl] acetate CAS Name: acetic acid [6-(1,3-dioxo-2-isoindolyl)-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl] ester IUPAC Name: [6-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-4-yl] acetate Traditional Name: acetic acid [5-keto-2-(1-naphthyl)-6-phthalimido-1,4-thiazepan-4-yl] ester Formula: C25H20N2O5S MolecularWeight: 460.5017

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1CC(SCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(=O)ON1CC(SCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H20N2O5S/c1-15(28)32-26-13-22(18-12-6-8-16-7-2-3-9-17(16)18)33-14-21(25(26)31)27-23(29)19-10-4-5-11-20(19)24(27)30/h2-12,21-22H,13-14H2,1H3