(4-tert-butyl-2-methyl-phenyl) 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCN2C=NC3=C(C2=O)C=CS3

InChI

InChI=1S/C20H22N2O3S/c1-13-11-14(20(2,3)4)5-6-16(13)25-17(23)7-9-22-12-21-18-15(19(22)24)8-10-26-18/h5-6,8,10-12H,7,9H2,1-4H3