ethyl (4S)-4-ethyl-2-oxidanylidene-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[1-oxo-3-(3-thiophenyl)propoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-(3-thiophen-3-ylpropanoyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[3-(3-thienyl)propanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CCC2=CSC=C2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CCC2=CSC=C2)C(=O)OCC

InChI

InChI=1S/C17H22N2O5S/c1-3-12-15(16(21)23-4-2)13(19-17(22)18-12)9-24-14(20)6-5-11-7-8-25-10-11/h7-8,10,12H,3-6,9H2,1-2H3,(H2,18,19,22)/t12-/m0/s1