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

Systemtic Name: ethyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2R)-2-(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)CN2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CN2CCCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H28N4O3S/c1-2-28-21(27)24-13-11-23(12-14-24)19(26)15-25-10-6-5-8-17(25)20-22-16-7-3-4-9-18(16)29-20/h3-4,7,9,17H,2,5-6,8,10-15H2,1H3/t17-/m1/s1