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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC=NC(=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=C(C(=CS1)C2=CC3=C(C=C2)OCCO3)C(=O)OC)SC4=NC=NC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O5S2/c1-16(37-23-13-20(28-15-29-23)17-6-4-3-5-7-17)25(31)30-26-24(27(32)33-2)19(14-36-26)18-8-9-21-22(12-18)35-11-10-34-21/h3-9,12-16H,10-11H2,1-2H3,(H,30,31)