(2S)-2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2S)-2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2S)-2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-[[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]thio]propionate Formula: C17H19N2O3S2- MolecularWeight: 363.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2O3S2/c1-11(17(21)22)23-10-15(20)19-8-6-12(7-9-19)16-18-13-4-2-3-5-14(13)24-16/h2-5,11-12H,6-10H2,1H3,(H,21,22)/p-1/t11-/m0/s1