2-[(Z)-1-chloranyl-2-pyridin-3-yl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(Z)-1-chloranyl-2-pyridin-3-yl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(3-pyridyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-pyridinyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-pyridin-3-ylethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(3-pyridyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H9ClN3O3S- MolecularWeight: 346.76826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C(=CC3=CN=CC=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)/C(=C/C3=CN=CC=C3)/Cl)C(=O)[O-]

InChI

InChI=1S/C15H10ClN3O3S/c1-7-10-13(20)18-12(19-14(10)23-11(7)15(21)22)9(16)5-8-3-2-4-17-6-8/h2-6H,1H3,(H,21,22)(H,18,19,20)/p-1/b9-5-