[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)CSC1=NC=NC2=C1C=CS2

InChI

InChI=1S/C14H17N3O3S2/c1-3-9(2)17-11(18)6-20-12(19)7-22-14-10-4-5-21-13(10)15-8-16-14/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)/t9-/m0/s1