methyl 2-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 2-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate CAS Name: 2-[[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 2-[[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2SC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2SC=C3

InChI

InChI=1S/C16H13N3O3S2/c1-22-16(21)10-4-2-3-5-11(10)19-13(20)8-24-15-14-12(6-7-23-14)17-9-18-15/h2-7,9H,8H2,1H3,(H,19,20)