methyl (4S)-4-(2-chloranyl-5-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4S)-4-(2-chloranyl-5-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-4-(2-chloro-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chloro-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(2-chloro-5-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chloro-5-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4S/c1-6-10(12(18)21-2)11(16-13(22)15-6)8-5-7(17(19)20)3-4-9(8)14/h3-5,11H,1-2H3,(H2,15,16,22)/t11-/m1/s1