ethyl 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-6-(9-ethyl-3-carbazolyl)-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)OCC)C#N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC(=O)OCC)C#N)C4=CC=CC=C41

InChI

InChI=1S/C23H20N4O3S/c1-3-27-18-8-6-5-7-15(18)16-11-14(9-10-19(16)27)21-17(12-24)22(29)26-23(25-21)31-13-20(28)30-4-2/h5-11H,3-4,13H2,1-2H3,(H,25,26,29)