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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C

InChI

InChI=1S/C15H17N3O4S/c1-8(2)22-14(19)12-9(3)16-15(23)17-13(12)10-6-4-5-7-11(10)18(20)21/h4-8,13H,1-3H3,(H2,16,17,23)/t13-/m0/s1