(3,4-dimethylcyclohexyl) 4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dimethylcyclohexyl) 4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dimethylcyclohexyl) 4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(1-adamantyl)-2-thiazolyl]amino]-4-oxobutanoic acid (3,4-dimethylcyclohexyl) ester IUPAC Name: (3,4-dimethylcyclohexyl) 4-[[4-(1-adamantyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(1-adamantyl)thiazol-2-yl]amino]-4-keto-butyric acid (3,4-dimethylcyclohexyl) ester Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCC(CC1C)OC(=O)CCC(=O)NC2=NC(=CS2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O3S/c1-15-3-4-20(7-16(15)2)30-23(29)6-5-22(28)27-24-26-21(14-31-24)25-11-17-8-18(12-25)10-19(9-17)13-25/h14-20H,3-13H2,1-2H3,(H,26,27,28)