(4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethoxybenzoate

Systemtic Name: (4-oxidanylidene-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethoxybenzoate Openeye Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid (4-keto-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)OCC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C22H18N2O4S/c1-2-27-17-11-7-6-10-15(17)22(26)28-12-18-23-20(25)19-16(13-29-21(19)24-18)14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,23,24,25)