methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[(6-methyl-4-pyrimidinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-methylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(6-methylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)OC

InChI

InChI=1S/C22H21N3O5S2/c1-13-9-19(24-12-23-13)31-8-5-18(26)25-21-20(22(27)28-2)15(11-32-21)14-3-4-16-17(10-14)30-7-6-29-16/h3-4,9-12H,5-8H2,1-2H3,(H,25,26)