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

Systemtic Name: 5-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]-5-keto-3,3-dimethyl-valerate Formula: C18H21ClN3O3S- MolecularWeight: 394.89564

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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)/p-1