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

Systemtic Name: ethyl 3-[[5-(4-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[4-oxo-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-methylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[4-keto-5-(p-tolyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid ethyl ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O3S/c1-3-28-23(27)18-6-4-5-16(11-18)12-25-14-24-21-20(22(25)26)19(13-29-21)17-9-7-15(2)8-10-17/h4-11,13-14H,3,12H2,1-2H3