[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18N4O4S2 MolecularWeight: 382.45782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C15H18N4O4S2/c1-15(2,3)19-14(22)18-10(20)6-23-11(21)7-25-13-9-4-5-24-12(9)16-8-17-13/h4-5,8H,6-7H2,1-3H3,(H2,18,19,20,22)