ethyl 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S2/c1-4-28-22(27)20-14(2)15(3)30-21(20)25-18(26)10-11-29-19-12-17(23-13-24-19)16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,25,26)