dimethyl 5-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-thieno[3,2-d]pyrimidin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-thieno[3,2-d]pyrimidinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-thieno[3,2-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(thieno[3,2-d]pyrimidin-4-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15N3O5S2 MolecularWeight: 417.4588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O5S2/c1-25-17(23)10-5-11(18(24)26-2)7-12(6-10)21-14(22)8-28-16-15-13(3-4-27-15)19-9-20-16/h3-7,9H,8H2,1-2H3,(H,21,22)