5-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-5-keto-3,3-dimethyl-valeric acid Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C18H22ClN3O3S/c1-18(2,11-16(24)25)10-15(23)21-5-7-22(8-6-21)17-20-13-4-3-12(19)9-14(13)26-17/h3-4,9H,5-8,10-11H2,1-2H3,(H,24,25)