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

Systemtic Name: ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H27N3O3S2 MolecularWeight: 517.66228

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S2/c1-4-23(36-24-16-22(29-18(3)30-24)20-14-10-7-11-15-20)26(32)31-27-25(28(33)34-5-2)21(17-35-27)19-12-8-6-9-13-19/h6-17,23H,4-5H2,1-3H3,(H,31,32)