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

Systemtic Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]-3-phenyl-propionate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H23N3O3S/c26-21(27)18(14-15-6-2-1-3-7-15)24-22(28)25-12-10-16(11-13-25)20-23-17-8-4-5-9-19(17)29-20/h1-9,16,18H,10-14H2,(H,24,28)(H,26,27)/p-1/t18-/m0/s1