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

Systemtic Name: [2-[(3,4-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(N-acetyl-3,4-dimethylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3,4-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(N-acetyl-3,4-dimethyl-anilino)thiazol-4-yl]methyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-15-4-5-21(6-16(15)2)27(17(3)28)23-26-20(13-32-23)12-31-22(29)24-8-18-7-19(9-24)11-25(30,10-18)14-24/h4-6,13,18-19,30H,7-12,14H2,1-3H3