[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)CCCC2=NC3=CC=CC=C3S2)C(=O)N

InChI

InChI=1S/C19H23N3O4S/c20-19(25)13-5-4-10-22(11-13)17(23)12-26-18(24)9-3-8-16-21-14-6-1-2-7-15(14)27-16/h1-2,6-7,13H,3-5,8-12H2,(H2,20,25)/t13-/m1/s1