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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-[(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-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(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)SC(C)C(=O)NC2=C(C(=CS2)C3=CC4=C(C=C3)OCCO4)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O5S2/c1-16(38-24-14-21(29-17(2)30-24)18-7-5-4-6-8-18)26(32)31-27-25(28(33)34-3)20(15-37-27)19-9-10-22-23(13-19)36-12-11-35-22/h4-10,13-16H,11-12H2,1-3H3,(H,31,32)