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

Systemtic Name: 5-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]-5-keto-3,3-dimethyl-valeric acid Formula: C19H24ClN3O3S MolecularWeight: 409.93016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCCN(CC1)C2=NC3=C(S2)C=C(C=C3)Cl)CC(=O)O

InChI

InChI=1S/C19H24ClN3O3S/c1-19(2,12-17(25)26)11-16(24)22-6-3-7-23(9-8-22)18-21-14-5-4-13(20)10-15(14)27-18/h4-5,10H,3,6-9,11-12H2,1-2H3,(H,25,26)