2-[2-(3-methylphenyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: 2-[2-(3-methylphenyl)-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: 2-[2-(m-tolyl)-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[2-(3-methylphenyl)-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl]acetate IUPAC Name: 2-[2-(3-methylphenyl)-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-2-(m-tolyl)-5-phenyl-thieno[2,3-d]pyrimidin-3-yl]acetate Formula: C21H15N2O3S- MolecularWeight: 375.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2CC(=O)[O-]

InChI

InChI=1S/C21H16N2O3S/c1-13-6-5-9-15(10-13)19-22-20-18(21(26)23(19)11-17(24)25)16(12-27-20)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,24,25)/p-1