methyl 5-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate

Systemtic Name: methyl 5-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate Openeye Name: methyl 5-[2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate CAS Name: 5-[2-[(3R)-3-(1-piperidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]-2-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]pyridine-2-carboxylate Traditional Name: 5-[2-[(3R)-3-piperidinopyrrolidino]-1,3-benzothiazol-6-yl]picolinic acid methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)N4CCC(C4)N5CCCCC5

Isomeric SMILES

COC(=O)C1=NC=C(C=C1)C2=CC3=C(C=C2)N=C(S3)N4CC[C@H](C4)N5CCCCC5

InChI

InChI=1S/C23H26N4O2S/c1-29-22(28)20-8-6-17(14-24-20)16-5-7-19-21(13-16)30-23(25-19)27-12-9-18(15-27)26-10-3-2-4-11-26/h5-8,13-14,18H,2-4,9-12,15H2,1H3/t18-/m1/s1