[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O4S/c1-15-25-20(14-31-15)12-29-21-4-2-19(3-5-21)23(28)30-13-22(27)26-24-9-16-6-17(10-24)8-18(7-16)11-24/h2-5,14,16-18H,6-13H2,1H3,(H,26,27)