[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C23H27BrN2O2S MolecularWeight: 475.44168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H27BrN2O2S/c1-15-2-4-18(5-3-15)25-21-26-19(13-29-21)12-28-20(27)11-22-7-16-6-17(8-22)10-23(24,9-16)14-22/h2-5,13,16-17H,6-12,14H2,1H3,(H,25,26)