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

Systemtic Name: methyl (4R)-4-(4-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-6-isopropyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(4-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-isopropyl-4-(4-nitrophenyl)-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:

CC(C)C1=C(C(NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C1=C([C@H](NC(=S)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H17N3O4S/c1-8(2)12-11(14(19)22-3)13(17-15(23)16-12)9-4-6-10(7-5-9)18(20)21/h4-8,13H,1-3H3,(H2,16,17,23)/t13-/m1/s1