2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate

Systemtic Name: 2-(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate Openeye Name: 2-(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate CAS Name: benzoic acid 2-[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]ethyl ester IUPAC Name: 2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylethyl benzoate Traditional Name: benzoic acid 2-[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]ethyl ester Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCCOC(=O)C3=CC=CC=C3)SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCCOC(=O)C3=CC=CC=C3)SC(=C2C)C

InChI

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