[2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)amino]-1,3-thiazol-4-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(4-methoxyanilino)thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(4-methoxyanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(p-anisidino)thiazol-4-yl]methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4S/c1-27-18-4-2-16(3-5-18)23-20-24-17(12-29-20)11-28-19(25)21-7-14-6-15(8-21)10-22(26,9-14)13-21/h2-5,12,14-15,26H,6-11,13H2,1H3,(H,23,24)/t14-,15+,21?,22?