methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-chloranyl-benzoate

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-2-(1,3-dioxoisoindolin-2-yl)sulfanyl-benzoate CAS Name: 4-chloro-2-[(1,3-dioxo-2-isoindolyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-(1,3-dioxoisoindol-2-yl)sulfanylbenzoate Traditional Name: 4-chloro-2-(phthalimidothio)benzoic acid methyl ester Formula: C16H10ClNO4S MolecularWeight: 347.7729

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)SN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)SN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H10ClNO4S/c1-22-16(21)12-7-6-9(17)8-13(12)23-18-14(19)10-4-2-3-5-11(10)15(18)20/h2-8H,1H3