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

Systemtic Name: 4-[2-(2-methyl-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(2-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(2-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-keto-2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzoic acid Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17N3O4S/c1-13-23-20-17(11-18(30-20)14-5-3-2-4-6-14)21(27)25(13)12-19(26)24-16-9-7-15(8-10-16)22(28)29/h2-11H,12H2,1H3,(H,24,26)(H,28,29)