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

Systemtic Name: (phenylmethyl) 2-[5-(3-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: benzyl 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]propionic acid benzyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O5S/c1-14(22(27)30-11-15-6-3-2-4-7-15)24-13-23-20-19(21(24)26)18(12-31-20)16-8-5-9-17(10-16)25(28)29/h2-10,12-14H,11H2,1H3