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

Systemtic Name: 4-[2-(5-methyl-4-oxidanylidene-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(5-methyl-4-oxo-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-[5-methyl-4-oxo-6-[oxo(phenethyloxy)methyl]-3-thieno[2,3-d]pyrimidinyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(5-methyl-4-oxo-6-phenethyloxycarbonylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-keto-5-methyl-6-phenethyloxycarbonyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C25H21N3O6S MolecularWeight: 491.51574

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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)OCCC4=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)OCCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O6S/c1-15-20-22(35-21(15)25(33)34-12-11-16-5-3-2-4-6-16)26-14-28(23(20)30)13-19(29)27-18-9-7-17(8-10-18)24(31)32/h2-10,14H,11-13H2,1H3,(H,27,29)(H,31,32)