ethyl (4S,5S)-6-oxidanylidene-2-piperidin-1-yl-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S,5S)-6-oxidanylidene-2-piperidin-1-yl-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S,5S)-6-oxo-2-(1-piperidyl)-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S,5S)-6-oxo-2-(1-piperidinyl)-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-6-oxo-2-piperidin-1-yl-4-thiophen-2-yl-4,5-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S,5S)-6-keto-2-piperidino-4-(2-thienyl)-4,5-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(N=C(NC1=O)N2CCCCC2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](N=C(NC1=O)N2CCCCC2)C3=CC=CS3

InChI

InChI=1S/C16H21N3O3S/c1-2-22-15(21)12-13(11-7-6-10-23-11)17-16(18-14(12)20)19-8-4-3-5-9-19/h6-7,10,12-13H,2-5,8-9H2,1H3,(H,17,18,20)/t12-,13+/m0/s1