methyl (4R)-4-(4-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(4-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(4-nitrophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(4-nitrophenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-nitrophenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H17N3O4S/c1-3-4-11-12(14(19)22-2)13(17-15(23)16-11)9-5-7-10(8-6-9)18(20)21/h5-8,13H,3-4H2,1-2H3,(H2,16,17,23)/t13-/m1/s1