ethyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-methyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

InChI

InChI=1S/C15H15N3O6S/c1-3-22-14(19)12-7(2)16-15(25)17-13(12)8-4-10-11(24-6-23-10)5-9(8)18(20)21/h4-5,13H,3,6H2,1-2H3,(H2,16,17,25)/t13-/m1/s1