(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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 (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC=NC4=C3C=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CSC3=NC=NC4=C3C=CS4)C

InChI

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