2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate

Systemtic Name: 2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate Openeye Name: 2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl ester IUPAC Name: 2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl ester Formula: C21H16N2O3S2 MolecularWeight: 408.49334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCSC2=NC3=C(C=CS3)C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O3S2/c24-19-17-11-13-27-18(17)22-21(23(19)16-9-5-2-6-10-16)28-14-12-26-20(25)15-7-3-1-4-8-15/h1-11,13H,12,14H2