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

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl] ethanoate Openeye Name: [6-(1,3-dioxoisoindolin-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl] acetate CAS Name: acetic acid [6-(1,3-dioxo-2-isoindolyl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl] ester IUPAC Name: [6-(1,3-dioxoisoindol-2-yl)-5-oxo-3-phenyl-1,4-thiazepan-4-yl] acetate Traditional Name: acetic acid (5-keto-3-phenyl-6-phthalimido-1,4-thiazepan-4-yl) ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C(CSCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC(=O)ON1C(CSCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-13(24)28-23-17(14-7-3-2-4-8-14)11-29-12-18(21(23)27)22-19(25)15-9-5-6-10-16(15)20(22)26/h2-10,17-18H,11-12H2,1H3