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

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]propionate Formula: C16H18N3O3S- MolecularWeight: 332.39742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-10(15(20)21)17-16(22)19-8-6-11(7-9-19)14-18-12-4-2-3-5-13(12)23-14/h2-5,10-11H,6-9H2,1H3,(H,17,22)(H,20,21)/p-1/t10-/m0/s1