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

Systemtic Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1H-benzimidazol-2-ylthio)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC3=CC=CC=C3N2)C(=O)OCC

InChI

InChI=1S/C17H20N4O3S/c1-3-10-14(15(22)24-4-2)13(19-16(23)18-10)9-25-17-20-11-7-5-6-8-12(11)21-17/h5-8,10H,3-4,9H2,1-2H3,(H,20,21)(H2,18,19,23)/t10-/m0/s1