methyl 3-[(4-chloranyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate

Systemtic Name: methyl 3-[(4-chloranyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Openeye Name: methyl 3-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate CAS Name: 3-[(4-chloro-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate Traditional Name: 3-[(4-chloro-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionic acid methyl ester Formula: C13H15ClN2O2S2 MolecularWeight: 330.8534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)CSCCC(=O)OC)Cl)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)CSCCC(=O)OC)Cl)C

InChI

InChI=1S/C13H15ClN2O2S2/c1-7-8(2)20-13-11(7)12(14)15-9(16-13)6-19-5-4-10(17)18-3/h4-6H2,1-3H3