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

Systemtic Name: (phenylmethyl) 2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanoate Openeye Name: benzyl 2-(3-benzyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C22H18N2O3S2/c25-19(27-14-17-9-5-2-6-10-17)15-29-22-23-18-11-12-28-20(18)21(26)24(22)13-16-7-3-1-4-8-16/h1-12H,13-15H2