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

Systemtic Name: [2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl] 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoate Openeye Name: [2-(3-methylbenzothiophen-2-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-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzothiophen-2-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-(3-methylbenzothiophen-2-yl)ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)COC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C21H22N2O3S2/c1-12-15-7-5-6-8-18(15)28-20(12)17(24)11-26-19(25)10-9-16-13(2)22-21(27-4)23-14(16)3/h5-8H,9-11H2,1-4H3