diethyl 5-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H22BrN3O5S2 MolecularWeight: 564.47188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C23H22BrN3O5S2/c1-4-31-21(29)18-13(3)19(22(30)32-5-2)34-20(18)27-17(28)12-33-23-25-11-10-16(26-23)14-6-8-15(24)9-7-14/h6-11H,4-5,12H2,1-3H3,(H,27,28)