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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic 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-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C(=C3)Cl)OC)OC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C3=CC(=C(C(=C3)Cl)OC)OC)C

InChI

InChI=1S/C18H17ClN2O5S/c1-8-9(2)27-17-14(8)16(22)20-13(21-17)7-26-18(23)10-5-11(19)15(25-4)12(6-10)24-3/h5-6H,7H2,1-4H3,(H,20,21,22)