2-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[4-[(4-chlorophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[4-(4-chlorophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-[4-[(4-chlorophenyl)thio]phenyl]-1,3-diketo-isoindoline-5-carboxylate Formula: C21H11ClNO4S- MolecularWeight: 408.83434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])SC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)[O-])SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H12ClNO4S/c22-13-2-6-15(7-3-13)28-16-8-4-14(5-9-16)23-19(24)17-10-1-12(21(26)27)11-18(17)20(23)25/h1-11H,(H,26,27)/p-1