3-[[(2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: 3-[[(2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: 3-[[(2R)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 3-[[(2R)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]amino]benzoate IUPAC Name: 3-[[(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 3-[[(2R)-4-(methylthio)-2-phthalimido-butanoyl]amino]benzoate Formula: C20H17N2O5S- MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCC[C@H](C(=O)NC1=CC=CC(=C1)C(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O5S/c1-28-10-9-16(17(23)21-13-6-4-5-12(11-13)20(26)27)22-18(24)14-7-2-3-8-15(14)19(22)25/h2-8,11,16H,9-10H2,1H3,(H,21,23)(H,26,27)/p-1/t16-/m1/s1