[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(7-ethyl-1H-indol-3-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-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-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-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H25N3O3S/c1-5-15-7-6-8-17-18(11-23-21(15)17)19(26)12-28-20(27)10-9-16-13(2)24-22(29-4)25-14(16)3/h6-8,11,23H,5,9-10,12H2,1-4H3