(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-tert-butylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-tert-butylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H18N2O3S/c1-18(2,3)12-6-4-11(5-7-12)17(22)23-10-14-19-13-8-9-24-15(13)16(21)20-14/h4-9H,10H2,1-3H3,(H,19,20,21)