ethyl 4-(2-chlorophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-chlorophenyl)-2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2-chlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-chlorophenyl)-2-[[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2-chlorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H20ClN3O3S2/c1-4-28-20(27)18-15(14-7-5-6-8-16(14)22)10-29-19(18)25-17(26)11-30-21-23-12(2)9-13(3)24-21/h5-10H,4,11H2,1-3H3,(H,25,26)