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

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl] 3,3-dimethylbutanoate Openeye Name: [6-(1,3-dioxoisoindolin-2-yl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-4-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic 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] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [5-keto-2-(1-naphthyl)-6-phthalimido-1,4-thiazepan-4-yl] ester Formula: C29H28N2O5S MolecularWeight: 516.60802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O5S/c1-29(2,3)15-25(32)36-30-16-24(20-14-8-10-18-9-4-5-11-19(18)20)37-17-23(28(30)35)31-26(33)21-12-6-7-13-22(21)27(31)34/h4-14,23-24H,15-17H2,1-3H3