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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

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