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

Systemtic Name: dimethyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]amino]glutaric acid dimethyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O5S/c1-27-17(24)8-7-15(19(25)28-2)22-20(26)23-11-9-13(10-12-23)18-21-14-5-3-4-6-16(14)29-18/h3-6,13,15H,7-12H2,1-2H3,(H,22,26)/t15-/m0/s1