tert-butyl 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-12-13(2)27-17-16(12)18(24)22(14-9-7-6-8-10-14)19(21-17)26-11-15(23)25-20(3,4)5/h6-10H,11H2,1-5H3