phenacyl 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate

Systemtic Name: phenacyl 1,3-bis(oxidanylidene)-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Openeye Name: phenacyl 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-[4-(phenylthio)phenyl]-5-isoindolecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1,3-dioxo-2-(4-phenylsulfanylphenyl)isoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[4-(phenylthio)phenyl]isoindoline-5-carboxylic acid phenacyl ester Formula: C29H19NO5S MolecularWeight: 493.52986

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=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C29H19NO5S/c31-26(19-7-3-1-4-8-19)18-35-29(34)20-11-16-24-25(17-20)28(33)30(27(24)32)21-12-14-23(15-13-21)36-22-9-5-2-6-10-22/h1-17H,18H2