(4-tert-butylphenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (4-tert-butylbenzyl) ester Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H20N2O2S2/c1-19(2,3)14-6-4-13(5-7-14)10-23-16(22)11-25-18-15-8-9-24-17(15)20-12-21-18/h4-9,12H,10-11H2,1-3H3