ethyl 3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: ethyl 3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 3-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 3-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 3-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoic acid ethyl ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S/c1-2-27-22(26)17-10-6-7-15(11-17)12-24-14-23-20-19(21(24)25)18(13-28-20)16-8-4-3-5-9-16/h3-11,13-14H,2,12H2,1H3