(2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-4-(methylthio)butyrate Formula: C18H22N3O3S2- MolecularWeight: 392.51558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S2/c1-25-11-8-14(17(22)23)20-18(24)21-9-6-12(7-10-21)16-19-13-4-2-3-5-15(13)26-16/h2-5,12,14H,6-11H2,1H3,(H,20,24)(H,22,23)/p-1/t14-/m0/s1