(2,3,6-trimethylphenyl) 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: (2,3,6-trimethylphenyl) 2-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: (2,3,6-trimethylphenyl) 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-ketothieno[2,3-d]pyrimidin-3-yl)acetic acid (2,3,6-trimethylphenyl) ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)CN2C=NC3=C(C2=O)C=CS3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)CN2C=NC3=C(C2=O)C=CS3)C

InChI

InChI=1S/C17H16N2O3S/c1-10-4-5-11(2)15(12(10)3)22-14(20)8-19-9-18-16-13(17(19)21)6-7-23-16/h4-7,9H,8H2,1-3H3