1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-methanoylbenzoate

Systemtic Name: 1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-methanoylbenzoate Openeye Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-formylbenzoate CAS Name: 4-formylbenzoic acid 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester IUPAC Name: 1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl 4-formylbenzoate Traditional Name: 4-formylbenzoic acid 1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl ester Formula: C18H16N2O4S MolecularWeight: 356.39564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC=C(C=C3)C=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=CC=C(C=C3)C=O)C

InChI

InChI=1S/C18H16N2O4S/c1-9-11(3)25-17-14(9)16(22)19-15(20-17)10(2)24-18(23)13-6-4-12(8-21)5-7-13/h4-8,10H,1-3H3,(H,19,20,22)