(5S,7R)-3-acetamido-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-acetamido-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-acetamido-N-[4-(5-methyl-2-furyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-acetamido-N-[4-(5-methyl-2-furanyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-acetamido-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-acetamido-N-[4-(5-methyl-2-furyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=CSC(=N2)NC(=O)C34CC5CC(C3)CC(C5)(C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(O1)C2=CSC(=N2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)NC(=O)C

InChI

InChI=1S/C21H25N3O3S/c1-12-3-4-17(27-12)16-10-28-19(22-16)23-18(26)20-6-14-5-15(7-20)9-21(8-14,11-20)24-13(2)25/h3-4,10,14-15H,5-9,11H2,1-2H3,(H,24,25)(H,22,23,26)/t14-,15+,20?,21?