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

Systemtic Name: ethyl 2-[(4R)-4-(4-chloranyl-3-nitro-phenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(4R)-4-(4-chloro-3-nitro-phenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-(4-chloro-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(4R)-4-(4-chloro-3-nitrophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[(4R)-4-(4-chloro-3-nitro-phenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid ethyl ester Formula: C17H18ClN3O5S MolecularWeight: 411.85992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCOC(=O)C(=O)C1=C(NC(=S)N[C@@H]1C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C17H18ClN3O5S/c1-4-26-16(23)15(22)12-13(8(2)3)19-17(27)20-14(12)9-5-6-10(18)11(7-9)21(24)25/h5-8,14H,4H2,1-3H3,(H2,19,20,27)/t14-/m1/s1