(4-tert-butylcyclohexyl) 2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: (4-tert-butylcyclohexyl) 2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: (4-tert-butylcyclohexyl) 2-[5-(4-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 2-[5-(4-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[4-keto-5-(4-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]acetic acid (4-tert-butylcyclohexyl) ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O5S/c1-24(2,3)16-6-10-18(11-7-16)32-20(28)12-26-14-25-22-21(23(26)29)19(13-33-22)15-4-8-17(9-5-15)27(30)31/h4-5,8-9,13-14,16,18H,6-7,10-12H2,1-3H3