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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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