ethyl 4-[3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoyloxy]benzoate

Systemtic Name: ethyl 4-[3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoyloxy]benzoate Openeye Name: ethyl 4-[3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoyloxy]benzoate CAS Name: 4-[3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]-1-oxopropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]propanoyloxy]benzoate Traditional Name: 4-[3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]propanoyloxy]benzoic acid ethyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCC2=C(N=C(N=C2C)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC(=O)CCC2=C(N=C(N=C2C)SCC(=O)N)C

InChI

InChI=1S/C20H23N3O5S/c1-4-27-19(26)14-5-7-15(8-6-14)28-18(25)10-9-16-12(2)22-20(23-13(16)3)29-11-17(21)24/h5-8H,4,9-11H2,1-3H3,(H2,21,24)