methyl 4-[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-ethyl-3-(2-methoxyethyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-ethyl-4-keto-3-(2-methoxyethyl)-6-methyl-thieno[2,3-d]pyrimidin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CCOC)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CCOC)C

InChI

InChI=1S/C21H24N2O4S2/c1-5-16-13(2)29-18-17(16)19(24)23(10-11-26-3)21(22-18)28-12-14-6-8-15(9-7-14)20(25)27-4/h6-9H,5,10-12H2,1-4H3