ethyl (2S)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-phenyl-ethanoate

Systemtic Name: ethyl (2S)-2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-phenyl-ethanoate Openeye Name: ethyl (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-phenyl-acetate CAS Name: (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-2-phenylacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-2-phenylacetate Traditional Name: (2S)-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-2-phenyl-acetic acid ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C19H20N2O3S2/c1-4-24-19(23)16(13-8-6-5-7-9-13)25-10-14-20-17(22)15-11(2)12(3)26-18(15)21-14/h5-9,16H,4,10H2,1-3H3,(H,20,21,22)/t16-/m0/s1