1,3-benzothiazol-2-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H24N2O3S/c24-19(26-12-18-23-16-3-1-2-4-17(16)27-18)11-22-20(25)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,13-15H,5-12H2,(H,22,25)