phenacyl 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: phenacyl 1,3-bis(oxidanylidene)-2-(2-sulfanylphenyl)isoindole-5-carboxylate Openeye Name: phenacyl 1,3-dioxo-2-(2-sulfanylphenyl)isoindoline-5-carboxylate CAS Name: 2-(2-mercaptophenyl)-1,3-dioxo-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1,3-dioxo-2-(2-sulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(2-mercaptophenyl)isoindoline-5-carboxylic acid phenacyl ester Formula: C23H15NO5S MolecularWeight: 417.4339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC=C4S

InChI

InChI=1S/C23H15NO5S/c25-19(14-6-2-1-3-7-14)13-29-23(28)15-10-11-16-17(12-15)22(27)24(21(16)26)18-8-4-5-9-20(18)30/h1-12,30H,13H2