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

Systemtic Name: ethyl 3-[[5-(4-ethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: ethyl 3-[[5-(4-ethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 3-[[5-(4-ethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-ethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 3-[[5-(4-ethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid ethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=CC(=C4)C(=O)OCC

InChI

InChI=1S/C24H22N2O3S/c1-3-16-8-10-18(11-9-16)20-14-30-22-21(20)23(27)26(15-25-22)13-17-6-5-7-19(12-17)24(28)29-4-2/h5-12,14-15H,3-4,13H2,1-2H3