4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid

Systemtic Name: 4,5-dimethoxy-2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoic acid Openeye Name: 4,5-dimethoxy-2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid CAS Name: 4,5-dimethoxy-2-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid IUPAC Name: 4,5-dimethoxy-2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoic acid Traditional Name: 4,5-dimethoxy-2-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)O)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4)OC

InChI

InChI=1S/C23H19N3O5S2/c1-30-17-8-14(23(28)29)16(9-18(17)31-2)26-19(27)11-33-22-20-15(13-6-4-3-5-7-13)10-32-21(20)24-12-25-22/h3-10,12H,11H2,1-2H3,(H,26,27)(H,28,29)