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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1-adamantylcarbonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic 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)C(=O)NCCC(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

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

InChI

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