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

Systemtic Name: tert-butyl 2-(5-methyl-4-oxidanylidene-6-phenyl-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-allyl-5-methyl-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(5-methyl-4-oxo-6-phenyl-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(5-methyl-4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-allyl-4-keto-5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid tert-butyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S2/c1-6-12-24-20(26)17-14(2)18(15-10-8-7-9-11-15)29-19(17)23-21(24)28-13-16(25)27-22(3,4)5/h6-11H,1,12-13H2,2-5H3