1,3-benzothiazol-2-ylmethyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[[(5S,7R)-3-chloranyl-1-adamantyl]carbonylamino]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetate CAS Name: 2-[[[(5S,7R)-3-chloro-1-adamantyl]-oxomethyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetate Traditional Name: 2-[[(5S,7R)-3-chloroadamantane-1-carbonyl]amino]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H23ClN2O3S/c22-21-8-13-5-14(9-21)7-20(6-13,12-21)19(26)23-10-18(25)27-11-17-24-15-3-1-2-4-16(15)28-17/h1-4,13-14H,5-12H2,(H,23,26)/t13-,14+,20?,21?