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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[3-[(2-methyl-6-phenyl-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-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC(=N1)SCCC(=O)NC2=C(C(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C28H25N3O5S2/c1-17-29-21(18-6-4-3-5-7-18)15-25(30-17)37-13-10-24(32)31-27-26(28(33)34-2)20(16-38-27)19-8-9-22-23(14-19)36-12-11-35-22/h3-9,14-16H,10-13H2,1-2H3,(H,31,32)