[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate

Systemtic Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 1-methylpyrrole-2-carboxylate Openeye Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 1-methylpyrrole-2-carboxylate CAS Name: 1-methyl-2-pyrrolecarboxylic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate Traditional Name: 1-methylpyrrole-2-carboxylic acid [2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)OCC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C=CC=C1C(=O)OCC(=O)N2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3O3S/c1-22-10-5-8-16(22)20(25)26-13-18(24)23-11-4-6-14(12-23)19-21-15-7-2-3-9-17(15)27-19/h2-3,5,7-10,14H,4,6,11-13H2,1H3/t14-/m1/s1