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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-methoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-1-chloro-2-(3-methoxyphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-methoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(3-methoxyphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H12ClN2O4S- MolecularWeight: 375.80618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN2O4S/c1-8-12-15(21)19-14(20-16(12)25-13(8)17(22)23)11(18)7-9-4-3-5-10(6-9)24-2/h3-7H,1-2H3,(H,22,23)(H,19,20,21)/p-1/b11-7-