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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H25N3O5S2 MolecularWeight: 547.6452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

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