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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1,3-bis(oxidanylidene)-2-phenethyl-isoindole-5-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 1,3-dioxo-2-phenethyl-isoindoline-5-carboxylate CAS Name: 1,3-dioxo-2-phenethyl-5-isoindolecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 1,3-dioxo-2-phenethylisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-phenethyl-isoindoline-5-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-14(27)24-23-25-17(13-32-23)12-31-22(30)16-7-8-18-19(11-16)21(29)26(20(18)28)10-9-15-5-3-2-4-6-15/h2-8,11,13H,9-10,12H2,1H3,(H,24,25,27)