methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H17N3O3S2/c1-28-22(27)15-9-5-6-10-17(15)25-18(26)12-30-21-19-16(14-7-3-2-4-8-14)11-29-20(19)23-13-24-21/h2-11,13H,12H2,1H3,(H,25,26)