(phenylmethyl) 2-(3-butan-2-yl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: (phenylmethyl) 2-(3-butan-2-yl-4-oxidanylidene-thieno[3,2-d]pyrimidin-2-yl)sulfanylethanoate Openeye Name: benzyl 2-(4-oxo-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3-butan-2-yl-4-oxo-2-thieno[3,2-d]pyrimidinyl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-butan-2-yl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-sec-butyl-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C=CS2)N=C1SCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S2/c1-3-13(2)21-18(23)17-15(9-10-25-17)20-19(21)26-12-16(22)24-11-14-7-5-4-6-8-14/h4-10,13H,3,11-12H2,1-2H3