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

Systemtic Name: 2-[(Z)-1-chloranyl-2-(3-prop-2-enoxyphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(Z)-2-(3-allyloxyphenyl)-1-chloro-vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(3-prop-2-enoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(Z)-1-chloro-2-(3-prop-2-enoxyphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-2-(3-allyloxyphenyl)-1-chloro-vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C19H14ClN2O4S- MolecularWeight: 401.84346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O4S/c1-3-7-26-12-6-4-5-11(8-12)9-13(20)16-21-17(23)14-10(2)15(19(24)25)27-18(14)22-16/h3-6,8-9H,1,7H2,2H3,(H,24,25)(H,21,22,23)/p-1/b13-9-