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

Systemtic Name: [2-oxidanylidene-2-(2-phenoxyethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-(2-phenoxyethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenoxyethylamino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-(2-phenoxyethylamino)ethyl] ester Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S2/c22-15(19-7-8-24-13-4-2-1-3-5-13)10-25-16(23)11-27-18-14-6-9-26-17(14)20-12-21-18/h1-6,9,12H,7-8,10-11H2,(H,19,22)