1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c25-19(11-22-8-14-5-15(9-22)7-16(6-14)10-22)23-12-21(26)27-13-20-24-17-3-1-2-4-18(17)28-20/h1-4,14-16H,5-13H2,(H,23,25)