5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-5-oxo-pentanoic acid CAS Name: 5-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-5-oxopentanoic acid IUPAC Name: 5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[4-(1,3-benzothiazol-2-yl)piperidino]-5-keto-valeric acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCCC(=O)O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCCC(=O)O

InChI

InChI=1S/C17H20N2O3S/c20-15(6-3-7-16(21)22)19-10-8-12(9-11-19)17-18-13-4-1-2-5-14(13)23-17/h1-2,4-5,12H,3,6-11H2,(H,21,22)