dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]glutaric acid dimethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)N1CCCC(C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H25N3O5S/c1-27-17(24)10-9-15(19(25)28-2)22-20(26)23-11-5-6-13(12-23)18-21-14-7-3-4-8-16(14)29-18/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,22,26)/t13?,15-/m0/s1