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

Systemtic Name: diethyl 5-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C20H19N3O5S2 MolecularWeight: 445.51196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=C2C=CS3)C(=O)OCC

InChI

InChI=1S/C20H19N3O5S2/c1-3-27-19(25)12-7-13(20(26)28-4-2)9-14(8-12)23-16(24)10-30-18-15-5-6-29-17(15)21-11-22-18/h5-9,11H,3-4,10H2,1-2H3,(H,23,24)