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

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]propionic acid Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S2/c20-15(11-23-10-7-16(21)22)19-8-5-12(6-9-19)17-18-13-3-1-2-4-14(13)24-17/h1-4,12H,5-11H2,(H,21,22)