5-cyano-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C22H16N5O3S2- MolecularWeight: 462.52414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=C(C(=N3)[O-])C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O3S2/c1-2-30-14-8-9-16-17(10-14)32-22(24-16)25-18(28)12-31-21-26-19(13-6-4-3-5-7-13)15(11-23)20(29)27-21/h3-10H,2,12H2,1H3,(H,24,25,28)(H,26,27,29)/p-1