ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=CC3=C(C=C2)OCCCO3)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CSC2=CC3=C(C=C2)OCCCO3)C(=O)OCC

InChI

InChI=1S/C19H24N2O5S/c1-3-13-17(18(22)24-4-2)14(21-19(23)20-13)11-27-12-6-7-15-16(10-12)26-9-5-8-25-15/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H2,20,21,23)/t13-/m0/s1