2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid 2-phthalimidoethyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18BrNO4S/c1-12-10-17(13(2)9-16(12)21)27-11-18(23)26-8-7-22-19(24)14-5-3-4-6-15(14)20(22)25/h3-6,9-10H,7-8,11H2,1-2H3