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

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C22H24ClNO3S/c1-26-18-4-2-16(3-5-18)19-24-17(12-28-19)11-27-20(25)21-7-14-6-15(8-21)10-22(23,9-14)13-21/h2-5,12,14-15H,6-11,13H2,1H3/t14-,15+,21?,22?