(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2)OCC

InChI

InChI=1S/C21H23ClN2O5S/c1-5-7-28-18-14(22)8-13(9-15(18)27-6-2)21(26)29-10-16-23-19(25)17-11(3)12(4)30-20(17)24-16/h8-9H,5-7,10H2,1-4H3,(H,23,24,25)