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

Systemtic Name: [6-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-2-thiophen-2-yl-1,4-thiazepan-4-yl] ethanoate Openeye Name: [6-(1,3-dioxoisoindolin-2-yl)-5-oxo-2-(2-thienyl)-1,4-thiazepan-4-yl] acetate CAS Name: acetic acid [6-(1,3-dioxo-2-isoindolyl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl] ester IUPAC Name: [6-(1,3-dioxoisoindol-2-yl)-5-oxo-2-thiophen-2-yl-1,4-thiazepan-4-yl] acetate Traditional Name: acetic acid [5-keto-6-phthalimido-2-(2-thienyl)-1,4-thiazepan-4-yl] ester Formula: C19H16N2O5S2 MolecularWeight: 416.47074

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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=CS4

Isomeric SMILES

CC(=O)ON1CC(SCC(C1=O)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C19H16N2O5S2/c1-11(22)26-20-9-16(15-7-4-8-27-15)28-10-14(19(20)25)21-17(23)12-5-2-3-6-13(12)18(21)24/h2-8,14,16H,9-10H2,1H3