methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C17H16N2O2S2 MolecularWeight: 344.45114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C17H16N2O2S2/c1-10-11(2)23-16-14(10)15(18-9-19-16)22-8-12-4-6-13(7-5-12)17(20)21-3/h4-7,9H,8H2,1-3H3