ethyl (4S)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NC3=C(N2)C=C(C=C3)OCC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=NC3=C(N2)C=C(C=C3)OCC)C(=O)OCC

InChI

InChI=1S/C19H24N4O4S/c1-4-12-16(17(24)27-6-3)15(21-18(25)20-12)10-28-19-22-13-8-7-11(26-5-2)9-14(13)23-19/h7-9,12H,4-6,10H2,1-3H3,(H,22,23)(H2,20,21,25)/t12-/m0/s1