ethyl 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O3S/c1-2-28-21(27)25-12-10-24(11-13-25)19(26)15-23-9-5-6-16(14-23)20-22-17-7-3-4-8-18(17)29-20/h3-4,7-8,16H,2,5-6,9-15H2,1H3/t16-/m1/s1