dimethyl 2-[2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H20N4O7S MolecularWeight: 448.4497

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H20N4O7S/c1-4-30-18(27)12-8-21-19(23-15(12)20)31-9-14(24)22-13-7-10(16(25)28-2)5-6-11(13)17(26)29-3/h5-8H,4,9H2,1-3H3,(H,22,24)(H2,20,21,23)