(2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate Traditional Name: 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)OCC(=O)N4CCOCC4)C

InChI

InChI=1S/C21H21N3O4S2/c1-13-14(2)29-19-18(13)20(23-12-22-19)30-16-6-4-3-5-15(16)21(26)28-11-17(25)24-7-9-27-10-8-24/h3-6,12H,7-11H2,1-2H3