[(Z)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methylsulfanyl-but-1-en-2-yl] benzoate

Systemtic Name: [(Z)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-methylsulfanyl-but-1-en-2-yl] benzoate Openeye Name: [(1Z)-2-(1,3-dioxoisoindolin-2-yl)-1-(methylsulfanylmethylene)propyl] benzoate CAS Name: benzoic acid [(Z)-3-(1,3-dioxo-2-isoindolyl)-1-(methylthio)but-1-en-2-yl] ester IUPAC Name: [(Z)-3-(1,3-dioxoisoindol-2-yl)-1-methylsulfanylbut-1-en-2-yl] benzoate Traditional Name: benzoic acid [(Z)-2-(methylthio)-1-(1-phthalimidoethyl)vinyl] ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CSC)OC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(/C(=C/SC)/OC(=O)C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H17NO4S/c1-13(21-18(22)15-10-6-7-11-16(15)19(21)23)17(12-26-2)25-20(24)14-8-4-3-5-9-14/h3-13H,1-2H3/b17-12-