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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3S2/c22-15(19-8-6-13-4-2-1-3-5-13)10-24-16(23)11-26-18-14-7-9-25-17(14)20-12-21-18/h1-5,7,9,12H,6,8,10-11H2,(H,19,22)