ethyl (4S)-4-ethyl-2-oxidanylidene-6-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-ethyl-2-oxidanylidene-6-[2-(thiophen-2-ylmethylsulfanyl)ethanoyloxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(2-thienylmethylsulfanyl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-2-oxo-6-[[1-oxo-2-(thiophen-2-ylmethylthio)ethoxy]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-2-oxo-6-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-2-keto-6-[[2-(2-thenylthio)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O5S2 MolecularWeight: 398.49698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)COC(=O)CSCC2=CC=CS2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSCC2=CC=CS2)C(=O)OCC

InChI

InChI=1S/C17H22N2O5S2/c1-3-12-15(16(21)23-4-2)13(19-17(22)18-12)8-24-14(20)10-25-9-11-6-5-7-26-11/h5-7,12H,3-4,8-10H2,1-2H3,(H2,18,19,22)/t12-/m0/s1