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

Systemtic Name: methyl 2-[(4R)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4R)-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4R)-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[(4R)-6-methyl-4-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S/c1-7-10(12(18)13(19)22-2)11(16-14(23)15-7)8-3-5-9(6-4-8)17(20)21/h3-6,11H,1-2H3,(H2,15,16,23)/t11-/m1/s1