ethyl 6-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H24N4O3S/c1-2-27-19(25)14-10-21-20(26)23-16(14)12-24-9-5-6-13(11-24)18-22-15-7-3-4-8-17(15)28-18/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H2,21,23,26)/t13-/m1/s1