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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-cyclohexyl-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-cyclohexyl-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-cyclohexyl-1,3-dioxo-5-isoindolecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate Traditional Name: 2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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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)C4CCCCC4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4CCCCC4

InChI

InChI=1S/C21H21N3O5S/c1-12(25)22-21-23-14(11-30-21)10-29-20(28)13-7-8-16-17(9-13)19(27)24(18(16)26)15-5-3-2-4-6-15/h7-9,11,15H,2-6,10H2,1H3,(H,22,23,25)