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

Systemtic Name: (phenylmethyl) 2-[5-(4-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C21H15N3O5S MolecularWeight: 421.4259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c25-18(29-11-14-4-2-1-3-5-14)10-23-13-22-20-19(21(23)26)17(12-30-20)15-6-8-16(9-7-15)24(27)28/h1-9,12-13H,10-11H2