[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanoic acid [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] ester IUPAC Name: [2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionic acid [2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C21H25N3O3S/c1-13-11-16-7-5-6-8-18(16)24(13)19(25)12-27-20(26)10-9-17-14(2)22-21(28-4)23-15(17)3/h5-8,13H,9-12H2,1-4H3/t13-/m0/s1