O-ethyl [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanylidene-5-phenyl-pentan-2-yl]sulfanylmethanethioate Openeye Name: O-ethyl [1-[(1,3-dioxoisoindolin-2-yl)methyl]-4-oxo-4-phenyl-butyl]sulfanylmethanethioate CAS Name: [[1-(1,3-dioxo-2-isoindolyl)-5-oxo-5-phenylpentan-2-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [1-(1,3-dioxoisoindol-2-yl)-5-oxo-5-phenylpentan-2-yl]sulfanylmethanethioate Traditional Name: [[4-keto-4-phenyl-1-(phthalimidomethyl)butyl]thio]methanethioic acid O-ethyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC(CCC(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=S)SC(CCC(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO4S2/c1-2-27-22(28)29-16(12-13-19(24)15-8-4-3-5-9-15)14-23-20(25)17-10-6-7-11-18(17)21(23)26/h3-11,16H,2,12-14H2,1H3