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

Systemtic Name: methyl 2-[(4R)-4-(4-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[(4R)-4-(4-nitrophenyl)-6-(2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-(4-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[(4R)-4-(4-nitrophenyl)-2-sulfanylidene-6-thiophen-2-yl-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[(4R)-4-(4-nitrophenyl)-6-(2-thienyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

COC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H13N3O5S2/c1-25-16(22)15(21)12-13(9-4-6-10(7-5-9)20(23)24)18-17(26)19-14(12)11-3-2-8-27-11/h2-8,13H,1H3,(H2,18,19,26)/t13-/m1/s1