[(1S)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-1-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-1-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(C)OC(=O)C3=C(C4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)[C@H](C)OC(=O)C3=C(C4=CC=CC=C4S3)C)C

InChI

InChI=1S/C20H18N2O3S2/c1-9-12(4)26-19-15(9)18(23)21-17(22-19)11(3)25-20(24)16-10(2)13-7-5-6-8-14(13)27-16/h5-8,11H,1-4H3,(H,21,22,23)/t11-/m0/s1