ethyl (2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenyl]sulfanylbutanoate

Systemtic Name: ethyl (2S)-2-[4-[2-(2-ethyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethanoyl-heptyl-amino]phenyl]sulfanylbutanoate Openeye Name: ethyl (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenyl]sulfanylbutanoate CAS Name: (2S)-2-[[4-[[2-(2-ethyl-6-oxo-4-phenyl-1-pyrimidinyl)-1-oxoethyl]-heptylamino]phenyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[4-[[2-(2-ethyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]-heptylamino]phenyl]sulfanylbutanoate Traditional Name: (2S)-2-[[4-[[2-(2-ethyl-6-keto-4-phenyl-pyrimidin-1-yl)acetyl]-heptyl-amino]phenyl]thio]butyric acid ethyl ester Formula: C33H43N3O4S MolecularWeight: 577.77722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C1=CC=C(C=C1)SC(CC)C(=O)OCC)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCN(C1=CC=C(C=C1)S[C@@H](CC)C(=O)OCC)C(=O)CN2C(=O)C=C(N=C2CC)C3=CC=CC=C3

InChI

InChI=1S/C33H43N3O4S/c1-5-9-10-11-15-22-35(26-18-20-27(21-19-26)41-29(6-2)33(39)40-8-4)32(38)24-36-30(7-3)34-28(23-31(36)37)25-16-13-12-14-17-25/h12-14,16-21,23,29H,5-11,15,22,24H2,1-4H3/t29-/m0/s1