dimethyl 3-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-(6-phenylpyrimidin-4-yl)sulfanylethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(6-phenylpyrimidin-4-yl)sulfanylacetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[(6-phenylpyrimidin-4-yl)thio]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O5S2/c1-12-17(20(26)28-2)19(31-18(12)21(27)29-3)24-15(25)10-30-16-9-14(22-11-23-16)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,24,25)