methyl 4-[(3E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-hydroxyimino-butyl]sulfanylbenzoate

Systemtic Name: methyl 4-[(3E)-4-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-hydroxyimino-butyl]sulfanylbenzoate Openeye Name: methyl 4-[(3E)-4-(1,3-dioxoisoindolin-2-yl)-3-hydroxyimino-butyl]sulfanylbenzoate CAS Name: 4-[[(3E)-4-(1,3-dioxo-2-isoindolyl)-3-hydroxyiminobutyl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(3E)-4-(1,3-dioxoisoindol-2-yl)-3-hydroxyiminobutyl]sulfanylbenzoate Traditional Name: 4-[[(3E)-3-hydroximino-4-phthalimido-butyl]thio]benzoic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SCCC(=NO)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCC/C(=N\O)/CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O5S/c1-27-20(25)13-6-8-15(9-7-13)28-11-10-14(21-26)12-22-18(23)16-4-2-3-5-17(16)19(22)24/h2-9,26H,10-12H2,1H3/b21-14+