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

Systemtic Name: 4-[2-[5-methyl-4-oxidanylidene-6-(2-phenoxyethoxycarbonyl)thieno[2,3-d]pyrimidin-3-yl]ethanoylamino]benzoate Openeye Name: 4-[[2-[5-methyl-4-oxo-6-(2-phenoxyethoxycarbonyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[5-methyl-4-oxo-6-[oxo(2-phenoxyethoxy)methyl]-3-thieno[2,3-d]pyrimidinyl]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[5-methyl-4-oxo-6-(2-phenoxyethoxycarbonyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-keto-5-methyl-6-(2-phenoxyethoxycarbonyl)thieno[2,3-d]pyrimidin-3-yl]acetyl]amino]benzoate Formula: C25H20N3O7S- MolecularWeight: 506.5072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O7S/c1-15-20-22(36-21(15)25(33)35-12-11-34-18-5-3-2-4-6-18)26-14-28(23(20)30)13-19(29)27-17-9-7-16(8-10-17)24(31)32/h2-10,14H,11-13H2,1H3,(H,27,29)(H,31,32)/p-1