ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-thiophen-2-yl-4H-pyrimidin-6-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-thiophen-2-yl-4H-pyrimidin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-(2-thienyl)-4H-pyrimidin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-thiophen-2-yl-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-thiophen-2-yl-4H-pyrimidin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-3-ethyl-4-(3-nitrophenyl)-2-(2-thienyl)-4H-pyrimidin-6-yl]thio]acetic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(N=C1C2=CC=CS2)SCC(=O)OCC)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(C(=C(N=C1C2=CC=CS2)SCC(=O)OCC)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S2/c1-3-24-19(14-7-5-8-15(11-14)25(27)28)16(12-22)21(31-13-18(26)29-4-2)23-20(24)17-9-6-10-30-17/h5-11,19H,3-4,13H2,1-2H3