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

Systemtic Name: ethyl 2-[(Z)-1-chloranyl-2-(4-cyanophenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(Z)-1-chloro-2-(4-cyanophenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(Z)-1-chloro-2-(4-cyanophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-1-chloro-2-(4-cyanophenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(Z)-1-chloro-2-(4-cyanophenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(=CC3=CC=C(C=C3)C#N)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C(=C/C3=CC=C(C=C3)C#N)/Cl)C

InChI

InChI=1S/C19H14ClN3O3S/c1-3-26-19(25)15-10(2)14-17(24)22-16(23-18(14)27-15)13(20)8-11-4-6-12(9-21)7-5-11/h4-8H,3H2,1-2H3,(H,22,23,24)/b13-8-