1,3-benzothiazol-2-ylmethyl 4-(1-adamantylcarbonylamino)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1-adamantylcarbonylamino)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(adamantane-1-carbonylamino)butanoate CAS Name: 4-[[1-adamantyl(oxo)methyl]amino]butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(adamantane-1-carbonylamino)butanoate Traditional Name: 4-(adamantane-1-carbonylamino)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S/c26-21(28-14-20-25-18-4-1-2-5-19(18)29-20)6-3-7-24-22(27)23-11-15-8-16(12-23)10-17(9-15)13-23/h1-2,4-5,15-17H,3,6-14H2,(H,24,27)