7-(4-cyclohexylphenyl)-5-ethoxycarbonyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-olate

Systemtic Name: 7-(4-cyclohexylphenyl)-5-ethoxycarbonyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-olate Openeye Name: 7-(4-cyclohexylphenyl)-5-ethoxycarbonyl-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-olate CAS Name: 7-(4-cyclohexylphenyl)-5-ethoxycarbonyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-olate IUPAC Name: 7-(4-cyclohexylphenyl)-5-ethoxycarbonyl-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-olate Traditional Name: 5-carbethoxy-7-(4-cyclohexylphenyl)-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NC(=S)N2)[O-])C3=CC=C(C=C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NC(=S)N2)[O-])C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C22H23N3O3S/c1-2-28-21(27)16-12-17(23-19-18(16)20(26)25-22(29)24-19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7H2,1H3,(H2,23,24,25,26,29)/p-1