propan-2-yl 6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate

Systemtic Name: propan-2-yl 6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate Openeye Name: isopropyl 6-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate CAS Name: 6-[2-[(3R)-3-(1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]-2-pyridinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate Traditional Name: 6-[2-[(3R)-3-piperidinopyrrolidino]-1,3-benzothiazol-6-yl]picolinic acid isopropyl ester Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC(=N1)C2=CC3=C(C=C2)N=C(S3)N4CCC(C4)N5CCCCC5

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC(=N1)C2=CC3=C(C=C2)N=C(S3)N4CC[C@H](C4)N5CCCCC5

InChI

InChI=1S/C25H30N4O2S/c1-17(2)31-24(30)22-8-6-7-20(26-22)18-9-10-21-23(15-18)32-25(27-21)29-14-11-19(16-29)28-12-4-3-5-13-28/h6-10,15,17,19H,3-5,11-14,16H2,1-2H3/t19-/m1/s1