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

Systemtic Name: 4-[(3-ethyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(3-ethyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-ethyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoate IUPAC Name: 4-[(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-ethyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzoate Formula: C18H17N2O3S2- MolecularWeight: 373.46918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)[O-])SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC3=CC=C(C=C3)C(=O)[O-])SC(=C2C)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-20-16(21)14-10(2)11(3)25-15(14)19-18(20)24-9-12-5-7-13(8-6-12)17(22)23/h5-8H,4,9H2,1-3H3,(H,22,23)/p-1