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

Systemtic Name: methyl 4-[[4-oxidanylidene-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Openeye Name: methyl 4-[[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate CAS Name: 4-[[4-oxo-5-(4-propoxyphenyl)-3-thieno[2,3-d]pyrimidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoate Traditional Name: 4-[[4-keto-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-3-yl]methyl]benzoic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H22N2O4S/c1-3-12-30-19-10-8-17(9-11-19)20-14-31-22-21(20)23(27)26(15-25-22)13-16-4-6-18(7-5-16)24(28)29-2/h4-11,14-15H,3,12-13H2,1-2H3