[2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate

Systemtic Name: [2-[(2,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate Openeye Name: [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [2-(N-acetyl-2,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2,4-dimethylanilino)-1,3-thiazol-4-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [2-(N-acetyl-2,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)C)C

InChI

InChI=1S/C25H30N2O3S/c1-15-4-5-22(16(2)6-15)27(17(3)28)24-26-21(14-31-24)13-30-23(29)25-10-18-7-19(11-25)9-20(8-18)12-25/h4-6,14,18-20H,7-13H2,1-3H3