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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (7-hydroxy-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-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-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-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C18H12N2O5S2 MolecularWeight: 400.42828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1O)OC(=O)C=C2COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H12N2O5S2/c21-11-1-2-12-10(5-15(22)25-14(12)6-11)7-24-16(23)8-27-18-13-3-4-26-17(13)19-9-20-18/h1-6,9,21H,7-8H2