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

Systemtic Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloranyl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloroethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-2-(4-tert-butylphenyl)-1-chloro-vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H18ClN2O3S- MolecularWeight: 401.88652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O3S/c1-10-14-17(24)22-16(23-18(14)27-15(10)19(25)26)13(21)9-11-5-7-12(8-6-11)20(2,3)4/h5-9H,1-4H3,(H,25,26)(H,22,23,24)/p-1/b13-9-