2-phenylsulfanylethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-phenylsulfanylethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (4R)-4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC3=C(C=C2)OCO3)C(=O)OCCSC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O5S/c1-13-18(20(24)26-9-10-29-15-5-3-2-4-6-15)19(23-21(25)22-13)14-7-8-16-17(11-14)28-12-27-16/h2-8,11,19H,9-10,12H2,1H3,(H2,22,23,25)/t19-/m1/s1