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

Systemtic Name: ethyl 4-phenyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-[(6-phenyl-4-pyrimidinyl)thio]propyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[3-(6-phenylpyrimidin-4-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[3-[(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)CCSC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCSC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S2/c1-2-32-26(31)24-20(18-9-5-3-6-10-18)16-34-25(24)29-22(30)13-14-33-23-15-21(27-17-28-23)19-11-7-4-8-12-19/h3-12,15-17H,2,13-14H2,1H3,(H,29,30)