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

Systemtic Name: 2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-naphthalen-1-yl-5-oxidanylidene-1,4-thiazepan-4-yl]-3,3-dimethyl-butanoate Openeye Name: 2-[6-(1,3-dioxoisoindolin-2-yl)-2-(1-naphthyl)-5-oxo-1,4-thiazepan-4-yl]-3,3-dimethyl-butanoate CAS Name: 2-[6-(1,3-dioxo-2-isoindolyl)-2-(1-naphthalenyl)-5-oxo-1,4-thiazepan-4-yl]-3,3-dimethylbutanoate IUPAC Name: 2-[6-(1,3-dioxoisoindol-2-yl)-2-naphthalen-1-yl-5-oxo-1,4-thiazepan-4-yl]-3,3-dimethylbutanoate Traditional Name: 2-[5-keto-2-(1-naphthyl)-6-phthalimido-1,4-thiazepan-4-yl]-3,3-dimethyl-butyrate Formula: C29H27N2O5S- MolecularWeight: 515.60008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)[O-])N1CC(SCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)(C)C(C(=O)[O-])N1CC(SCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC5=CC=CC=C54

InChI

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