3-[5-(4-tert-butylphenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate

Systemtic Name: 3-[5-(4-tert-butylphenyl)-2-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]propanoate Openeye Name: 3-[5-(4-tert-butylphenyl)-2-methyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl]propanoate CAS Name: 3-[5-(4-tert-butylphenyl)-2-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]propanoate IUPAC Name: 3-[5-(4-tert-butylphenyl)-2-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate Traditional Name: 3-[5-(4-tert-butylphenyl)-4-keto-2-methyl-thieno[2,3-d]pyrimidin-3-yl]propionate Formula: C20H21N2O3S- MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N1CCC(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=CS2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N1CCC(=O)[O-]

InChI

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