[2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(3S)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(3S)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[(3S)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[(3S)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)N

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)C(=O)N

InChI

InChI=1S/C18H21N3O4S/c19-18(24)12-4-3-9-21(10-12)16(22)11-25-17(23)8-7-15-20-13-5-1-2-6-14(13)26-15/h1-2,5-6,12H,3-4,7-11H2,(H2,19,24)/t12-/m0/s1