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

Systemtic Name: ethyl 2-[(4R)-4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(4R)-4-(3-nitrophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[(4R)-4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(4R)-4-(3-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-keto-2-[(4R)-4-(3-nitrophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]acetic acid ethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5S/c1-2-28-19(25)18(24)15-16(12-7-4-3-5-8-12)21-20(29)22-17(15)13-9-6-10-14(11-13)23(26)27/h3-11,17H,2H2,1H3,(H2,21,22,29)/t17-/m1/s1