2-[(Z)-1-chloranyl-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(3,5-dimethoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-(3,5-dimethoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(3,5-dimethoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CC(=CC(=C3)OC)OC)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O5S/c1-8-13-16(22)20-15(21-17(13)27-14(8)18(23)24)12(19)6-9-4-10(25-2)7-11(5-9)26-3/h4-7H,1-3H3,(H,23,24)(H,20,21,22)/b12-6-