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

Systemtic Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-oxo-3-[(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-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(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:

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC(=O)CCSC4=NC=NC(=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC3=C(C=C2)OCCO3)NC(=O)CCSC4=NC=NC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N3O5S2/c1-33-27(32)25-19(18-7-8-21-22(13-18)35-11-10-34-21)15-37-26(25)30-23(31)9-12-36-24-14-20(28-16-29-24)17-5-3-2-4-6-17/h2-8,13-16H,9-12H2,1H3,(H,30,31)