4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate

Systemtic Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxidanylidene-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxo-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[2-[(2-cyanophenyl)methylthio]-4-oxo-3-thieno[3,2-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[[2-[(2-cyanophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[2-[(2-cyanobenzyl)thio]-4-keto-thieno[3,2-d]pyrimidin-3-yl]methyl]benzoate Formula: C22H14N3O3S2- MolecularWeight: 432.49486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)[O-])SC=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)[O-])SC=C3)C#N

InChI

InChI=1S/C22H15N3O3S2/c23-11-16-3-1-2-4-17(16)13-30-22-24-18-9-10-29-19(18)20(26)25(22)12-14-5-7-15(8-6-14)21(27)28/h1-10H,12-13H2,(H,27,28)/p-1