ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S2/c1-3-32-26(31)23-20(18-10-6-4-7-11-18)15-33-25(23)29-24(30)17(2)34-22-14-21(27-16-28-22)19-12-8-5-9-13-19/h4-17H,3H2,1-2H3,(H,29,30)