(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-cyanophenyl)benzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-cyanophenyl)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C21H13N3O3S MolecularWeight: 387.41122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C21H13N3O3S/c22-11-13-5-1-2-6-14(13)15-7-3-4-8-16(15)21(26)27-12-18-23-17-9-10-28-19(17)20(25)24-18/h1-10H,12H2,(H,23,24,25)