(3-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (3-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (3-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-ethoxyphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (3-methylcyclohexyl) ester IUPAC Name: (3-methylcyclohexyl) 2-[5-(4-ethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-(4-keto-5-p-phenetyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid (3-methylcyclohexyl) ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCC(C4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OC4CCCC(C4)C

InChI

InChI=1S/C23H26N2O4S/c1-3-28-17-9-7-16(8-10-17)19-13-30-22-21(19)23(27)25(14-24-22)12-20(26)29-18-6-4-5-15(2)11-18/h7-10,13-15,18H,3-6,11-12H2,1-2H3