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

Systemtic Name: methyl 3-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[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=C1)NC(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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