4-[(5-methyl-4-oxidanylidene-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate

Systemtic Name: 4-[(5-methyl-4-oxidanylidene-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Openeye Name: 4-[(5-methyl-4-oxo-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate CAS Name: 4-[[5-methyl-4-oxo-6-[oxo(phenethyloxy)methyl]-3-thieno[2,3-d]pyrimidinyl]methyl]benzoate IUPAC Name: 4-[(5-methyl-4-oxo-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Traditional Name: 4-[(4-keto-5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)methyl]benzoate Formula: C24H19N2O5S- MolecularWeight: 447.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)[O-])C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O5S/c1-15-19-21(32-20(15)24(30)31-12-11-16-5-3-2-4-6-16)25-14-26(22(19)27)13-17-7-9-18(10-8-17)23(28)29/h2-10,14H,11-13H2,1H3,(H,28,29)/p-1