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

Systemtic Name: methyl 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c1-10-11(2)24-17-15(10)16(19-12(3)20-17)23-9-13-5-7-14(8-6-13)18(21)22-4/h5-8H,9H2,1-4H3