(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate

Systemtic Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Openeye Name: [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate CAS Name: (5S,7R)-3-acetamido-1-adamantanecarboxylic acid (5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl (5S,7R)-3-acetamidoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-acetamidoadamantane-1-carboxylic acid [5-methyl-2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-13-17(23-19(28-13)18-4-3-5-29-18)11-27-20(26)21-7-15-6-16(8-21)10-22(9-15,12-21)24-14(2)25/h3-5,15-16H,6-12H2,1-2H3,(H,24,25)/t15-,16+,21?,22?