(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-2-ylsulfanylethanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CSC3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)CSC3=CC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C21H18N2O3S2/c1-12-13(2)28-21-19(12)20(25)22-17(23-21)10-26-18(24)11-27-16-8-7-14-5-3-4-6-15(14)9-16/h3-9H,10-11H2,1-2H3,(H,22,23,25)