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

Systemtic Name: 2-phenylsulfanylethyl (4S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(6-bromo-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 (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC4=CC=CC=C4

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC3=C(C=C2Br)OCO3)C(=O)OCCSC4=CC=CC=C4

InChI

InChI=1S/C21H19BrN2O5S/c1-12-18(20(25)27-7-8-30-13-5-3-2-4-6-13)19(24-21(26)23-12)14-9-16-17(10-15(14)22)29-11-28-16/h2-6,9-10,19H,7-8,11H2,1H3,(H2,23,24,26)/t19-/m1/s1