2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(6-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O2S3 MolecularWeight: 451.58428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NC4=C(C(=CS4)C5=CC=CC=C5)C(=O)N3

InChI

InChI=1S/C22H17N3O2S3/c1-2-27-14-8-9-16-17(10-14)30-22(23-16)29-12-18-24-20(26)19-15(11-28-21(19)25-18)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,24,25,26)