(Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-2-keto-4-[3-nitro-4-(2-pyrimidylthio)phenyl]-3-(2-quinolyl)but-3-enoic acid Formula: C23H14N4O5S MolecularWeight: 458.44606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])C(=O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C(=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-])/C(=O)C(=O)O

InChI

InChI=1S/C23H14N4O5S/c28-21(22(29)30)16(18-8-7-15-4-1-2-5-17(15)26-18)12-14-6-9-20(19(13-14)27(31)32)33-23-24-10-3-11-25-23/h1-13H,(H,29,30)/b16-12-