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

Systemtic Name: [2-[(3-chlorophenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-(N-acetyl-3-chloroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-3-chloroanilino)-1,3-thiazol-4-yl]methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-(N-acetyl-3-chloro-anilino)thiazol-4-yl]methyl ester Formula: C23H25ClN2O4S MolecularWeight: 460.9736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O4S/c1-14(27)26(19-4-2-3-17(24)6-19)21-25-18(12-31-21)11-30-20(28)22-7-15-5-16(8-22)10-23(29,9-15)13-22/h2-4,6,12,15-16,29H,5,7-11,13H2,1H3