(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C20H16N2O4S2/c1-2-12-3-4-14-13(8-17(23)26-16(14)7-12)9-25-18(24)10-28-20-15-5-6-27-19(15)21-11-22-20/h3-8,11H,2,9-10H2,1H3