methyl 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate Openeye Name: methyl 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate CAS Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxylate Traditional Name: 2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazino]nicotinic acid methyl ester Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=CC=N4)C(=O)OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=CC=N4)C(=O)OC

InChI

InChI=1S/C20H22N4O2S/c1-14(19-22-16-7-3-4-8-17(16)27-19)23-10-12-24(13-11-23)18-15(20(25)26-2)6-5-9-21-18/h3-9,14H,10-13H2,1-2H3/t14-/m1/s1