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

Systemtic Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(6-phenyl-4-pyrimidinyl)thio]butyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[2-(6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[2-[(6-phenylpyrimidin-4-yl)thio]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O3S2 MolecularWeight: 503.6357

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC=NC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC=NC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S2/c1-3-22(35-23-15-21(28-17-29-23)19-13-9-6-10-14-19)25(31)30-26-24(27(32)33-4-2)20(16-34-26)18-11-7-5-8-12-18/h5-17,22H,3-4H2,1-2H3,(H,30,31)