2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid 2-phthalimidoethyl ester Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H13N3O4S2/c22-14(9-27-16-13-5-8-26-15(13)19-10-20-16)25-7-6-21-17(23)11-3-1-2-4-12(11)18(21)24/h1-5,8,10H,6-7,9H2