2-adamantylmethyl 3-(4-methyl-1,3-thiazol-5-yl)propanoate

Systemtic Name: 2-adamantylmethyl 3-(4-methyl-1,3-thiazol-5-yl)propanoate Openeye Name: 2-adamantylmethyl 3-(4-methylthiazol-5-yl)propanoate CAS Name: 3-(4-methyl-5-thiazolyl)propanoic acid 2-adamantylmethyl ester IUPAC Name: 2-adamantylmethyl 3-(4-methyl-1,3-thiazol-5-yl)propanoate Traditional Name: 3-(4-methylthiazol-5-yl)propionic acid 2-adamantylmethyl ester Formula: C18H25NO2S MolecularWeight: 319.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)OCC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)OCC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C18H25NO2S/c1-11-17(22-10-19-11)2-3-18(20)21-9-16-14-5-12-4-13(7-14)8-15(16)6-12/h10,12-16H,2-9H2,1H3