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

Systemtic Name: ethyl (4S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H22N2O5S/c1-2-27-21(25)19-16(23-22(26)24-20(19)14-6-4-3-5-7-14)13-30-15-8-9-17-18(12-15)29-11-10-28-17/h3-9,12,20H,2,10-11,13H2,1H3,(H2,23,24,26)/t20-/m0/s1