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

Systemtic Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H18ClN2O4S- MolecularWeight: 417.88592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2)\Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-3-4-9-27-13-7-5-12(6-8-13)10-14(21)17-22-18(24)15-11(2)16(20(25)26)28-19(15)23-17/h5-8,10H,3-4,9H2,1-2H3,(H,25,26)(H,22,23,24)/p-1/b14-10-