(2-acetamido-1,3-thiazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindole-5-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-benzyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-(phenylmethyl)-5-isoindolecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-benzyl-1,3-diketo-isoindoline-5-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3O5S/c1-13(26)23-22-24-16(12-31-22)11-30-21(29)15-7-8-17-18(9-15)20(28)25(19(17)27)10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,23,24,26)