ethyl 4-[(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: ethyl 4-[(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: ethyl 4-[(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-keto-6-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=C(C=C1)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

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