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

Systemtic Name: ethyl 2-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H19N3O3S2 MolecularWeight: 449.54526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3S2/c1-2-29-23(28)16-10-6-7-11-18(16)26-19(27)13-31-22-20-17(15-8-4-3-5-9-15)12-30-21(20)24-14-25-22/h3-12,14H,2,13H2,1H3,(H,26,27)