2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]acetic acid Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S2/c19-14(9-22-10-15(20)21)18-7-5-11(6-8-18)16-17-12-3-1-2-4-13(12)23-16/h1-4,11H,5-10H2,(H,20,21)