2-(3-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-(3-methylsulfanylphenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-(3-methylsulfanylphenyl)-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[3-(methylthio)phenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[3-(methylthio)phenyl]isoindoline-5-carboxylic acid Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C16H11NO4S/c1-22-11-4-2-3-10(8-11)17-14(18)12-6-5-9(16(20)21)7-13(12)15(17)19/h2-8H,1H3,(H,20,21)