ethyl 6-azanylidene-4-(4-chlorophenyl)-5-cyano-3-phenyl-thieno[2,3-b]thiopyran-2-carboxylate

Systemtic Name: ethyl 6-azanylidene-4-(4-chlorophenyl)-5-cyano-3-phenyl-thieno[2,3-b]thiopyran-2-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-imino-3-phenyl-thieno[2,3-b]thiopyran-2-carboxylate CAS Name: 4-(4-chlorophenyl)-5-cyano-6-imino-3-phenyl-2-thieno[2,3-b]thiopyrancarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-cyano-6-imino-3-phenylthieno[2,3-b]thiopyran-2-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-cyano-6-imino-3-phenyl-thieno[2,3-b]thiopyran-2-carboxylic acid ethyl ester Formula: C23H15ClN2O2S2 MolecularWeight: 450.9604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)SC(=N)C(=C2C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)SC(=N)C(=C2C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H15ClN2O2S2/c1-2-28-22(27)20-18(13-6-4-3-5-7-13)19-17(14-8-10-15(24)11-9-14)16(12-25)21(26)30-23(19)29-20/h3-11,26H,2H2,1H3