dimethyl 5-(2-pyrimidin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-pyrimidin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-pyrimidylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C16H15N3O5S MolecularWeight: 361.3724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=CC=N2)C(=O)OC

InChI

InChI=1S/C16H15N3O5S/c1-23-14(21)10-6-11(15(22)24-2)8-12(7-10)19-13(20)9-25-16-17-4-3-5-18-16/h3-8H,9H2,1-2H3,(H,19,20)