[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C25H30N2O5S/c1-30-20-4-3-18(8-21(20)31-2)23-27-19(14-33-23)13-32-22(28)12-26-24(29)25-9-15-5-16(10-25)7-17(6-15)11-25/h3-4,8,14-17H,5-7,9-13H2,1-2H3,(H,26,29)