methyl 2-[(4R)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[(4R)-4-(4-chloranyl-3-nitro-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4R)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4R)-4-(4-chloro-3-nitrophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4R)-4-(4-chloro-3-nitro-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C14H12ClN3O5S MolecularWeight: 369.78018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClN3O5S/c1-6-10(12(19)13(20)23-2)11(17-14(24)16-6)7-3-4-8(15)9(5-7)18(21)22/h3-5,11H,1-2H3,(H2,16,17,24)/t11-/m1/s1