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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylethanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)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-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S2/c1-10-11(2)24-17-15(10)16(21)18-13(19-17)8-22-14(20)9-23-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,19,21)