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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O2S2/c1-11-12(2)24-17-15(11)16(19-13(3)20-17)23-10-9-22-18(21)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3