dimethyl 2-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[(6-oxo-1H-pyrimidin-2-yl)thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(6-keto-1H-pyrimidin-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H15N3O6S MolecularWeight: 377.3718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O6S/c1-24-14(22)9-3-4-10(15(23)25-2)11(7-9)18-13(21)8-26-16-17-6-5-12(20)19-16/h3-7H,8H2,1-2H3,(H,18,21)(H,17,19,20)